1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile

C22H15N3O — CID 24768643

IUPAC1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
SMILESCC(=O)c1ccccc1-c1cccc(-n2cnc3cc(C#N)ccc32)c1
InChIInChI=1S/C22H15N3O/c1-15(26)19-7-2-3-8-20(19)17-5-4-6-18(12-17)25-14-24-21-11-16(13-23)9-10-22(21)25/h2-12,14H,1H3
InChIKeyGGODMEKBYJEQCG-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.77
Rot. Bonds3

About 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile

1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile (PubChem CID 24768643) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
PubChem CID24768643
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
SMILESCC(=O)c1ccccc1-c1cccc(-n2cnc3cc(C#N)ccc32)c1
InChIInChI=1S/C22H15N3O/c1-15(26)19-7-2-3-8-20(19)17-5-4-6-18(12-17)25-14-24-21-11-16(13-23)9-10-22(21)25/h2-12,14H,1H3
InChIKeyGGODMEKBYJEQCG-UHFFFAOYSA-N
XLogP4.77
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-propan-2-yloxyphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768638
1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
CID 67152246
2-(2-acetylphenyl)pyridine-4-carbonitrile
CID 39782180
[2-[3-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]phenyl]phenyl] carbamate
CID 69023101
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115542701
N-[(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethyl]acetamide
CID 67096012
N-[[1-[3-(2-ethylphenyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine
CID 87288205
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
3-[5-[5-[(1R)-1-aminoethyl]benzimidazol-1-yl]-2-fluorophenyl]benzonitrile
CID 46207970
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068
1-[3-(2-ethylphenyl)phenyl]-N'-hydroxybenzimidazole-5-carboximidamide
CID 91432292
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile (CID 24768643) is 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile is CC(=O)c1ccccc1-c1cccc(-n2cnc3cc(C#N)ccc32)c1.
What is the InChIKey of 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile?
The InChIKey is GGODMEKBYJEQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c1-15(26)19-7-2-3-8-20(19)17-5-4-6-18(12-17)25-14-24-21-11-16(13-23)9-10-22(21)25/h2-12,14H,1H3.
What are the key properties of 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile?
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 24768643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).