SDF/Mol File of 1-Phenyl-1H-benzoimidazole (C13H10N2)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying 1-Phenyl-1H-benzoimidazole Molecule

• Chemical structure of 1-Phenyl-1H-benzoimidazole

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-Phenyl-1H-benzoimidazole is available in chemical structure page of 1-Phenyl-1H-benzoimidazole, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

• Molecular weight of 1-Phenyl-1H-benzoimidazole

  The molecular weight of 1-Phenyl-1H-benzoimidazole is available in molecular weight page of 1-Phenyl-1H-benzoimidazole, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.

• Chemical formula of 1-Phenyl-1H-benzoimidazole

  The chemical formula of 1-Phenyl-1H-benzoimidazole is given in chemical formula page of 1-Phenyl-1H-benzoimidazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of 1-Phenyl-1H-benzoimidazole

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-Phenyl-1H-benzoimidazole is:

  InChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H

  It can provide a standard way to encode the molecular information of 1-Phenyl-1H-benzoimidazole to facilitate the search for the compound information in databases and on the web.

  The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1-Phenyl-1H-benzoimidazole is:

  InChIKey=XNCMQRWVMWLODV-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for 1-Phenyl-1H-benzoimidazole, but it needs to be linked to the full InChI to get back to the original structure of the 1-Phenyl-1H-benzoimidazole since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of 1-Phenyl-1H-benzoimidazole

  The 1-Phenyl-1H-benzoimidazole compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-Phenyl-1H-benzoimidazole including the registry numbers are listed below, if available:

  • 3B1-003675
  • I04-1338
  • C-42567
  • Z-1892
  • A5209
  • MFCD00749217
  • 8711AD
  • 6825AC
  • 1H-BENZIMIDAZOLE, 1-PHENYL
  • HMS2678A16

  • 1h-benzimidazole,1-phenyl-(9ci)
  • 1-Phenylbenzimidazole deriv. 11
  • 1H-BENZIMIDAZOLE,PHENYL-
  • 1H-BENZIMIDAZOLE, 1-PH
  • BDBM3794
  • 1-Phenyl-1H-benzimidazole #
  • 1H-Benzimidazole,1-phenyl-
  • 1-Phenylbenzimidazole 3
  • 1-Phenyl benzoimidazole
  • 1H-Benzimidazole, 1-phenyl-

  • BAS 00350928
  • 1-phenyl-1,3-benzodiazole
  • N-PHENYLBENZIMIDAZOLE
  • 97542-80-8
  • 1-phenylbenzimidazole
  • 1-Phenyl-1H-benzimidazole
  • 1-Phenyl-1H-benzoimidazole
  • 1-phenyl-1H-benzo[d]imidazole
  • 2622-60-8

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1-Phenyl-1H-benzoimidazole Identification Summary Frequently Asked Questions (FAQs)

What’s the 1-Phenyl-1H-benzoimidazole formula?
C13H10N2
How many atoms and what elements are included in the 1-Phenyl-1H-benzoimidazole molecule?
25 atom(s) - 10 Hydrogen atom(s), 13 Carbon atom(s), and 2 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are in the 1-Phenyl-1H-benzoimidazole structure?
27 bond(s) - 17 non-H bond(s), 16 multiple bond(s), 1 rotatable bond(s), 16 aromatic bond(s), 1 five-membered ring(s), 2 six-membered ring(s), 1 nine-membered ring(s), and 1 Imidazole(s)
What’s the 1-Phenyl-1H-benzoimidazole’s molar mass?
194.2319 g/mol
What’s the SMILES structure of 1-Phenyl-1H-benzoimidazole?
c1ccc(cc1)n2cnc3ccccc23
What’s the InChI code of 1-Phenyl-1H-benzoimidazole?
InChI=1S/C13H10N2/c1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-10H
What’s the InChIKey format of 1-Phenyl-1H-benzoimidazole?
XNCMQRWVMWLODV-UHFFFAOYSA-N

17 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).