1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide

C21H19Cl3N4OS — CID 46889224

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
SMILESCSc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
InChIKeyHYQPTXFCPLFWMJ-UHFFFAOYSA-N
MW481.84 g/mol
LogP5.96
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide (PubChem CID 46889224) has the molecular formula C21H19Cl3N4OS and a molecular weight of 481.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
PubChem CID46889224
Molecular FormulaC21H19Cl3N4OS
Molecular Weight481.84 g/mol
Exact Mass480.03
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide
SMILESCSc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29)
InChIKeyHYQPTXFCPLFWMJ-UHFFFAOYSA-N
XLogP5.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.84
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11555526
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-(methylsulfinyl)-N-(piperidin-1-YL)-1H-imidazole-4-carboxamide (enantiomeric mix)
CID 23654364
1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide
CID 21949023
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 21949029
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid pyrrolidin-1-ylamide
CID 10216984
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10297613
5-Bromo-1-(4-chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11168529
1-(4-Chloro-phenyl)-5-cyano-2-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11190694
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11294205
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-fluoromethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11294616

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide (CID 46889224) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide is CSc1c(C(=O)NN2CCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
The InChIKey is HYQPTXFCPLFWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4OS/c1-30-21-18(20(29)26-27-10-2-3-11-27)25-19(16-9-6-14(23)12-17(16)24)28(21)15-7-4-13(22)5-8-15/h4-9,12H,2-3,10-11H2,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide has a molecular weight of 481.84 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfanyl-N-pyrrolidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 46889224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).