2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide

C22H22Cl2N4OS — CID 24748218

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCSc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4OS/c1-30-22-19(21(29)26-27-13-5-2-6-14-27)25-20(17-7-3-4-8-18(17)24)28(22)16-11-9-15(23)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)
InChIKeyQGOLXENEGKMJFV-UHFFFAOYSA-N
MW461.42 g/mol
LogP5.70
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 24748218) has the molecular formula C22H22Cl2N4OS and a molecular weight of 461.42 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID24748218
Molecular FormulaC22H22Cl2N4OS
Molecular Weight461.42 g/mol
Exact Mass460.09
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCSc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4OS/c1-30-22-19(21(29)26-27-13-5-2-6-14-27)25-20(17-7-3-4-8-18(17)24)28(22)16-11-9-15(23)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29)
InChIKeyQGOLXENEGKMJFV-UHFFFAOYSA-N
XLogP5.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.42
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-cyano-2-(2,4-dichlorophenyl)-N-piperidin-1-ylimidazole-4-carboxamide
CID 11190694
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfinyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 23654364
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 24759220
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 59232528
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 23654363
2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)-N-piperidin-1-ylimidazole-4-carboxamide;ethanesulfonic acid
CID 16667170
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
2-(2,4-dichlorophenyl)-1,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 10309178
2-[1-(4-chlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]benzoic acid
CID 46244285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 24748218) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide is CSc1c(C(=O)NN2CCCCC2)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is QGOLXENEGKMJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4OS/c1-30-22-19(21(29)26-27-13-5-2-6-14-27)25-20(17-7-3-4-8-18(17)24)28(22)16-11-9-15(23)10-12-16/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 461.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-methylsulfanyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 24748218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).