3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile

C20H13N3 — CID 67701841

IUPAC3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1
InChIInChI=1S/C20H13N3/c21-13-14-6-4-9-16(12-14)20-22-18-11-5-10-17(19(18)23-20)15-7-2-1-3-8-15/h1-12H,(H,22,23)
InChIKeyQYAZNFXPOUMZLP-UHFFFAOYSA-N
MW295.35 g/mol
LogP4.77
Rot. Bonds2

About 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile

3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile (PubChem CID 67701841) has the molecular formula C20H13N3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
PubChem CID67701841
Molecular FormulaC20H13N3
Molecular Weight295.35 g/mol
Exact Mass295.11
IUPAC Name3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1
InChIInChI=1S/C20H13N3/c21-13-14-6-4-9-16(12-14)20-22-18-11-5-10-17(19(18)23-20)15-7-2-1-3-8-15/h1-12H,(H,22,23)
InChIKeyQYAZNFXPOUMZLP-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile?
The IUPAC name of 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile (CID 67701841) is 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile.
What is the SMILES notation for 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile?
The canonical SMILES for 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile is N#Cc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1.
What is the InChIKey of 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile?
The InChIKey is QYAZNFXPOUMZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3/c21-13-14-6-4-9-16(12-14)20-22-18-11-5-10-17(19(18)23-20)15-7-2-1-3-8-15/h1-12H,(H,22,23).
What are the key properties of 3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile?
3-(4-phenyl-1H-benzimidazol-2-yl)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-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile is sourced from PubChem (CID 67701841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).