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

C24H24Cl3N3O — CID 10227475

IUPAC5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1C)C1CCCCC1
InChIInChI=1S/C24H24Cl3N3O/c1-29(18-6-4-3-5-7-18)24(31)23-28-21(19-13-12-17(26)14-20(19)27)22(30(23)2)15-8-10-16(25)11-9-15/h8-14,18H,3-7H2,1-2H3
InChIKeyKLNDJEQTSONKPV-UHFFFAOYSA-N
MW476.84 g/mol
LogP7.12
Rot. Bonds4

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

5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide (PubChem CID 10227475) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide
PubChem CID10227475
Molecular FormulaC24H24Cl3N3O
Molecular Weight476.84 g/mol
Exact Mass475.10
IUPAC Name5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide
SMILESCN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1C)C1CCCCC1
InChIInChI=1S/C24H24Cl3N3O/c1-29(18-6-4-3-5-7-18)24(31)23-28-21(19-13-12-17(26)14-20(19)27)22(30(23)2)15-8-10-16(25)11-9-15/h8-14,18H,3-7H2,1-2H3
InChIKeyKLNDJEQTSONKPV-UHFFFAOYSA-N
XLogP7.12
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide (CID 10227475) is 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide is CN(C(=O)c1nc(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)n1C)C1CCCCC1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide?
The InChIKey is KLNDJEQTSONKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-29(18-6-4-3-5-7-18)24(31)23-28-21(19-13-12-17(26)14-20(19)27)22(30(23)2)15-8-10-16(25)11-9-15/h8-14,18H,3-7H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide?
5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide has a molecular weight of 476.84 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cyclohexyl-4-(2,4-dichlorophenyl)-N,1-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 10227475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).