2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile

C17H12ClN3O2S — CID 10784589

IUPAC2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(-n2cc(C#N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClN3O2S/c1-24(22,23)16-8-6-15(7-9-16)21-11-14(10-19)20-17(21)12-2-4-13(18)5-3-12/h2-9,11H,1H3
InChIKeyUYBKGLYLRCILLW-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.47
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile

2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile (PubChem CID 10784589) has the molecular formula C17H12ClN3O2S and a molecular weight of 357.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile
PubChem CID10784589
Molecular FormulaC17H12ClN3O2S
Molecular Weight357.82 g/mol
Exact Mass357.03
IUPAC Name2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile
SMILESCS(=O)(=O)c1ccc(-n2cc(C#N)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H12ClN3O2S/c1-24(22,23)16-8-6-15(7-9-16)21-11-14(10-19)20-17(21)12-2-4-13(18)5-3-12/h2-9,11H,1H3
InChIKeyUYBKGLYLRCILLW-UHFFFAOYSA-N
XLogP3.47
TPSA75.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
CID 22998023
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
CID 142958781
4-butoxy-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22998175
4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22148960
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
CID 54379362
2-(4-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]-1-(4-methylsulfonylphenyl)imidazole
CID 10576988
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
CID 22998190
1,2-diphenylimidazole-4-carbonitrile
CID 1234751
4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
CID 22998055
3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carbonitrile
CID 67634661
4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
CID 22997783
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
CID 22998004

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile (CID 10784589) is 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile is CS(=O)(=O)c1ccc(-n2cc(C#N)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile?
The InChIKey is UYBKGLYLRCILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S/c1-24(22,23)16-8-6-15(7-9-16)21-11-14(10-19)20-17(21)12-2-4-13(18)5-3-12/h2-9,11H,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile?
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile has a molecular weight of 357.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile is sourced from PubChem (CID 10784589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).