4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile

C23H18N4 — CID 143499796

IUPAC4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
SMILESCc1ccc(-n2cc(-c3ccc(C#N)cc3)nc2-c2cccc(C)n2)cc1
InChIInChI=1S/C23H18N4/c1-16-6-12-20(13-7-16)27-15-22(19-10-8-18(14-24)9-11-19)26-23(27)21-5-3-4-17(2)25-21/h3-13,15H,1-2H3
InChIKeyGZWGQKRLLJJBAW-UHFFFAOYSA-N
MW350.43 g/mol
LogP5.09
Rot. Bonds3

About 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile

4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile (PubChem CID 143499796) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
PubChem CID143499796
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
SMILESCc1ccc(-n2cc(-c3ccc(C#N)cc3)nc2-c2cccc(C)n2)cc1
InChIInChI=1S/C23H18N4/c1-16-6-12-20(13-7-16)27-15-22(19-10-8-18(14-24)9-11-19)26-23(27)21-5-3-4-17(2)25-21/h3-13,15H,1-2H3
InChIKeyGZWGQKRLLJJBAW-UHFFFAOYSA-N
XLogP5.09
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.43
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile
CID 23658310
4-(1,2-diphenylimidazol-4-yl)benzonitrile
CID 134854362
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
4-[1-(4-methylphenyl)triazol-4-yl]benzonitrile
CID 134864603
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046
4-(1,2-dimethylimidazol-4-yl)benzonitrile
CID 59597714
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 177498154
6-[4-(1-aminoethyl)-2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 164912409
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile
CID 155216625
phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate
CID 22291391

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The IUPAC name of 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile (CID 143499796) is 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile is Cc1ccc(-n2cc(-c3ccc(C#N)cc3)nc2-c2cccc(C)n2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
The InChIKey is GZWGQKRLLJJBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-16-6-12-20(13-7-16)27-15-22(19-10-8-18(14-24)9-11-19)26-23(27)21-5-3-4-17(2)25-21/h3-13,15H,1-2H3.
What are the key properties of 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile?
4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile has a molecular weight of 350.43 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)-2-(6-methyl-2-pyridinyl)imidazol-4-yl]benzonitrile is sourced from PubChem (CID 143499796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).