4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide

C23H22Cl3N3O — CID 10204999

IUPAC4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl3N3O/c1-29-21(18-12-11-16(25)13-19(18)26)20(14-7-9-15(24)10-8-14)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,27,30)
InChIKeyXLCPMQYEPILYFO-UHFFFAOYSA-N
MW462.81 g/mol
LogP6.78
Rot. Bonds4

About 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide

4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (PubChem CID 10204999) has the molecular formula C23H22Cl3N3O and a molecular weight of 462.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
PubChem CID10204999
Molecular FormulaC23H22Cl3N3O
Molecular Weight462.81 g/mol
Exact Mass461.08
IUPAC Name4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22Cl3N3O/c1-29-21(18-12-11-16(25)13-19(18)26)20(14-7-9-15(24)10-8-14)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,27,30)
InChIKeyXLCPMQYEPILYFO-UHFFFAOYSA-N
XLogP6.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.81
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (CID 10204999) is 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is XLCPMQYEPILYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N3O/c1-29-21(18-12-11-16(25)13-19(18)26)20(14-7-9-15(24)10-8-14)28-22(29)23(30)27-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,27,30).
What are the key properties of 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 462.81 g/mol, XLogP of 6.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-cyclohexyl-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10204999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).