5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile

C11H8ClN3 — CID 10910992

IUPAC5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile
SMILESCc1ccc(-c2nc(C#N)[nH]c2Cl)cc1
InChIInChI=1S/C11H8ClN3/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)14-10/h2-5H,1H3,(H,14,15)
InChIKeyAHLIZUWPYRQFHY-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.91
Rot. Bonds1

About 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile

5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile (PubChem CID 10910992) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile
PubChem CID10910992
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile
SMILESCc1ccc(-c2nc(C#N)[nH]c2Cl)cc1
InChIInChI=1S/C11H8ClN3/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)14-10/h2-5H,1H3,(H,14,15)
InChIKeyAHLIZUWPYRQFHY-UHFFFAOYSA-N
XLogP2.91
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyazofamid
CID 9862076
2,4,5-Triphenylimidazole
CID 10232
Lofemizole
CID 71967
4-Chloro-5-(4-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 76965485
4-Chloro-5-(4-methylphenyl)-1H-imidazole-2-carboxamide
CID 76967240
4,5-Diphenyl-2-methylimidazole
CID 236696
2-(4-Chlorophenyl)-4,5-diphenylimidazole
CID 794727
1H-Imidazol-2-amine, 4,5-diphenyl-
CID 616595
4,5-Diphenyl-2-(propan-2-yl)-1h-imidazole
CID 294543
1H-Imidazole, 2-(2-chlorophenyl)-4,5-diphenyl-
CID 74356
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzonitrile
CID 12099795
Mefenidil
CID 65475

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile (CID 10910992) is 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile is Cc1ccc(-c2nc(C#N)[nH]c2Cl)cc1.
What is the InChIKey of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
The InChIKey is AHLIZUWPYRQFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c1-7-2-4-8(5-3-7)10-11(12)15-9(6-13)14-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile?
5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile has a molecular weight of 217.66 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-methylphenyl)-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 10910992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).