4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile

C20H14N4 — CID 39151464

IUPAC4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(-c3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14N4/c21-13-15-5-7-16(8-6-15)14-24-19-4-2-1-3-18(19)23-20(24)17-9-11-22-12-10-17/h1-12H,14H2
InChIKeyDZYZEEGKKNKCTC-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.02
Rot. Bonds3

About 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile

4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile (PubChem CID 39151464) has the molecular formula C20H14N4 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
PubChem CID39151464
Molecular FormulaC20H14N4
Molecular Weight310.36 g/mol
Exact Mass310.12
IUPAC Name4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile
SMILESN#Cc1ccc(Cn2c(-c3ccncc3)nc3ccccc32)cc1
InChIInChI=1S/C20H14N4/c21-13-15-5-7-16(8-6-15)14-24-19-4-2-1-3-18(19)23-20(24)17-9-11-22-12-10-17/h1-12H,14H2
InChIKeyDZYZEEGKKNKCTC-UHFFFAOYSA-N
XLogP4.02
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]benzonitrile
CID 134083964
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39151457
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
[4-(1-benzylbenzimidazol-2-yl)phenyl]methanol
CID 90040837
4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
2-phenyl-1-[(4-pyrazol-1-ylphenyl)methyl]benzimidazole
CID 141100454
3-(2-pyridin-4-ylbenzimidazol-1-yl)propanethioamide
CID 82149829
4-[(2-phenylbenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 39148129
1-benzylbenzimidazole-2-carbonitrile
CID 15363638

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile?
The IUPAC name of 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile (CID 39151464) is 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile?
The canonical SMILES for 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile is N#Cc1ccc(Cn2c(-c3ccncc3)nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile?
The InChIKey is DZYZEEGKKNKCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4/c21-13-15-5-7-16(8-6-15)14-24-19-4-2-1-3-18(19)23-20(24)17-9-11-22-12-10-17/h1-12H,14H2.
What are the key properties of 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile?
4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile has a molecular weight of 310.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-4-ylbenzimidazol-1-yl)methyl]benzonitrile is sourced from PubChem (CID 39151464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).