2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide

C21H22ClN3O3S — CID 10526696

IUPAC2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN3O3S/c1-4-24(5-2)21(26)19-14-25(17-10-12-18(13-11-17)29(3,27)28)20(23-19)15-6-8-16(22)9-7-15/h6-14H,4-5H2,1-3H3
InChIKeyQCNGZGPHRQTPPY-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.08
Rot. Bonds6

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

2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide (PubChem CID 10526696) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide
PubChem CID10526696
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H22ClN3O3S/c1-4-24(5-2)21(26)19-14-25(17-10-12-18(13-11-17)29(3,27)28)20(23-19)15-6-8-16(22)9-7-15/h6-14H,4-5H2,1-3H3
InChIKeyQCNGZGPHRQTPPY-UHFFFAOYSA-N
XLogP4.08
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide (CID 10526696) is 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide is CCN(CC)C(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
The InChIKey is QCNGZGPHRQTPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-4-24(5-2)21(26)19-14-25(17-10-12-18(13-11-17)29(3,27)28)20(23-19)15-6-8-16(22)9-7-15/h6-14H,4-5H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide?
2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide has a molecular weight of 431.95 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-diethyl-1-(4-methylsulfonylphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 10526696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).