1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide

C18H16ClN3O3S — CID 54379362

IUPAC1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H16ClN3O3S/c1-20-18(23)16-11-22(14-7-5-13(19)6-8-14)17(21-16)12-3-9-15(10-4-12)26(2,24)25/h3-11H,1-2H3,(H,20,23)
InChIKeyUYVZYCYUQSSTAX-UHFFFAOYSA-N
MW389.86 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide

1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 54379362) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID54379362
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C18H16ClN3O3S/c1-20-18(23)16-11-22(14-7-5-13(19)6-8-14)17(21-16)12-3-9-15(10-4-12)26(2,24)25/h3-11H,1-2H3,(H,20,23)
InChIKeyUYVZYCYUQSSTAX-UHFFFAOYSA-N
XLogP2.96
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
1-(4-chlorophenyl)-4-methoxy-2-(4-methylsulfonylphenyl)imidazole
CID 22998023
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole-4-carbonitrile
CID 10784589
2-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)imidazole;ethane
CID 142958781
4-(3-chlorophenyl)-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22148960
2-(4-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]-1-(4-methylsulfonylphenyl)imidazole
CID 10576988
4-butoxy-2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)imidazole
CID 22998175
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
CID 22998190
4-[2,4-bis(4-chlorophenyl)imidazol-1-yl]benzenesulfonamide
CID 22998055
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
CID 22997783
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide (CID 54379362) is 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide is CNC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is UYVZYCYUQSSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-20-18(23)16-11-22(14-7-5-13(19)6-8-14)17(21-16)12-3-9-15(10-4-12)26(2,24)25/h3-11H,1-2H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 54379362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).