4-(1,2-diphenylimidazol-4-yl)benzonitrile

C22H15N3 — CID 134854362

IUPAC4-(1,2-diphenylimidazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15N3/c23-15-17-11-13-18(14-12-17)21-16-25(20-9-5-2-6-10-20)22(24-21)19-7-3-1-4-8-19/h1-14,16H
InChIKeyAVXWZXDCUVIGIH-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.08
Rot. Bonds3

About 4-(1,2-diphenylimidazol-4-yl)benzonitrile

4-(1,2-diphenylimidazol-4-yl)benzonitrile (PubChem CID 134854362) has the molecular formula C22H15N3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(1,2-diphenylimidazol-4-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,2-diphenylimidazol-4-yl)benzonitrile
PubChem CID134854362
Molecular FormulaC22H15N3
Molecular Weight321.38 g/mol
Exact Mass321.13
IUPAC Name4-(1,2-diphenylimidazol-4-yl)benzonitrile
SMILESN#Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H15N3/c23-15-17-11-13-18(14-12-17)21-16-25(20-9-5-2-6-10-20)22(24-21)19-7-3-1-4-8-19/h1-14,16H
InChIKeyAVXWZXDCUVIGIH-UHFFFAOYSA-N
XLogP5.08
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1,4-diphenylimidazole
CID 44632179
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
1,2-diphenylimidazole-4-carbonitrile
CID 1234751
4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
CID 143499796
1-(4-ethylphenyl)-2,4-diphenylimidazole
CID 173201564
2-chloro-N-[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]acetamide
CID 70313886
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-(4-phenyltriazol-1-yl)phenyl]benzonitrile
CID 102418496
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
CID 170247126
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
4-[2,4-bis(5-methylthiophen-2-yl)imidazol-1-yl]benzonitrile;1-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-phenylimidazole;2-[1-methyl-4-(5-methylthiophen-2-yl)imidazol-2-yl]-9-phenylcarbazole;9-methyl-2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]carbazole;2-[4-(5-methylthiophen-2-yl)-1-phenylimidazol-2-yl]-9-phenylcarbazole
CID 161175228

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diphenylimidazol-4-yl)benzonitrile?
The IUPAC name of 4-(1,2-diphenylimidazol-4-yl)benzonitrile (CID 134854362) is 4-(1,2-diphenylimidazol-4-yl)benzonitrile.
What is the SMILES notation for 4-(1,2-diphenylimidazol-4-yl)benzonitrile?
The canonical SMILES for 4-(1,2-diphenylimidazol-4-yl)benzonitrile is N#Cc1ccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(1,2-diphenylimidazol-4-yl)benzonitrile?
The InChIKey is AVXWZXDCUVIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3/c23-15-17-11-13-18(14-12-17)21-16-25(20-9-5-2-6-10-20)22(24-21)19-7-3-1-4-8-19/h1-14,16H.
What are the key properties of 4-(1,2-diphenylimidazol-4-yl)benzonitrile?
4-(1,2-diphenylimidazol-4-yl)benzonitrile has a molecular weight of 321.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diphenylimidazol-4-yl)benzonitrile is sourced from PubChem (CID 134854362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).