1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide

C22H21Cl3N4O3S — CID 11555526

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCS(=O)(=O)c1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyXHUGETFAQBCPHR-UHFFFAOYSA-N
MW527.86 g/mol
LogP5.03
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11555526) has the molecular formula C22H21Cl3N4O3S and a molecular weight of 527.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11555526
Molecular FormulaC22H21Cl3N4O3S
Molecular Weight527.86 g/mol
Exact Mass526.04
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCS(=O)(=O)c1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyXHUGETFAQBCPHR-UHFFFAOYSA-N
XLogP5.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.86
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 11555526) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide is CS(=O)(=O)c1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is XHUGETFAQBCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl3N4O3S/c1-33(31,32)22-19(21(30)27-28-11-3-2-4-12-28)26-20(17-10-7-15(24)13-18(17)25)29(22)16-8-5-14(23)6-9-16/h5-10,13H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 527.86 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylsulfonyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).