4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile

C25H15N5 — CID 141483083

IUPAC4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
SMILESCn1c(-c2ccc(C#N)cc2)nc(-c2ccc(C#N)cc2)c1-c1ccc(C#N)cc1
InChIInChI=1S/C25H15N5/c1-30-24(21-10-4-18(15-27)5-11-21)23(20-8-2-17(14-26)3-9-20)29-25(30)22-12-6-19(16-28)7-13-22/h2-13H,1H3
InChIKeyZHYKFIOMOPBLQK-UHFFFAOYSA-N
MW385.43 g/mol
LogP5.04
Rot. Bonds3

About 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile

4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile (PubChem CID 141483083) has the molecular formula C25H15N5 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
PubChem CID141483083
Molecular FormulaC25H15N5
Molecular Weight385.43 g/mol
Exact Mass385.13
IUPAC Name4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile
SMILESCn1c(-c2ccc(C#N)cc2)nc(-c2ccc(C#N)cc2)c1-c1ccc(C#N)cc1
InChIInChI=1S/C25H15N5/c1-30-24(21-10-4-18(15-27)5-11-21)23(20-8-2-17(14-26)3-9-20)29-25(30)22-12-6-19(16-28)7-13-22/h2-13H,1H3
InChIKeyZHYKFIOMOPBLQK-UHFFFAOYSA-N
XLogP5.04
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(4-methoxyphenyl)-1-methyl-4-[4-(trifluoromethyl)phenyl]imidazole
CID 53244019
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
6-(4-cyanophenyl)-5-(4-methylphenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 118645877
4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)benzonitrile
CID 15005409
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
5-(3-bromophenyl)-1-methyl-2-(4-methylphenyl)-4-phenylimidazole
CID 122227299
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645890
4-[6-(4-aminopiperidin-1-yl)-3-[4-(hydroxymethyl)phenyl]-4-methyl-5-oxopyrazin-2-yl]benzonitrile
CID 118614530
4-(1,2-diphenylimidazol-4-yl)benzonitrile
CID 134854362
4-(5-amino-1-tert-butyl-2-methylimidazol-4-yl)benzonitrile
CID 55048115

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile?
The IUPAC name of 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile (CID 141483083) is 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile is Cn1c(-c2ccc(C#N)cc2)nc(-c2ccc(C#N)cc2)c1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile?
The InChIKey is ZHYKFIOMOPBLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N5/c1-30-24(21-10-4-18(15-27)5-11-21)23(20-8-2-17(14-26)3-9-20)29-25(30)22-12-6-19(16-28)7-13-22/h2-13H,1H3.
What are the key properties of 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile?
4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile has a molecular weight of 385.43 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(4-cyanophenyl)-1-methylimidazol-4-yl]benzonitrile is sourced from PubChem (CID 141483083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).