3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile

C20H13N3 — CID 168554018

IUPAC3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H13N3/c21-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)20-22-18-10-3-4-11-19(18)23-20/h1-12H,(H,22,23)
InChIKeyQKQCBXUVEZIIHJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.77
Rot. Bonds2

About 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile

3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile (PubChem CID 168554018) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
PubChem CID168554018
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2ccccc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H13N3/c21-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)20-22-18-10-3-4-11-19(18)23-20/h1-12H,(H,22,23)
InChIKeyQKQCBXUVEZIIHJ-UHFFFAOYSA-N
XLogP4.77
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
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2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
CID 141467779
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
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2-phenyl-1H-benzimidazole;hydrobromide
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CID 134336861

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile?
The IUPAC name of 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile (CID 168554018) is 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile is N#Cc1cccc(-c2ccccc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile?
The InChIKey is QKQCBXUVEZIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-13-14-6-5-7-15(12-14)16-8-1-2-9-17(16)20-22-18-10-3-4-11-19(18)23-20/h1-12H,(H,22,23).
What are the key properties of 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile?
3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile has a molecular weight of 295.35 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile is sourced from PubChem (CID 168554018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).