2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide

C22H21Cl2N3O — CID 23398439

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
InChIKeyHNQCVIGOPRZZGB-UHFFFAOYSA-N
MW414.34 g/mol
LogP5.91
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide (PubChem CID 23398439) has the molecular formula C22H21Cl2N3O and a molecular weight of 414.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide
PubChem CID23398439
Molecular FormulaC22H21Cl2N3O
Molecular Weight414.34 g/mol
Exact Mass413.11
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28)
InChIKeyHNQCVIGOPRZZGB-UHFFFAOYSA-N
XLogP5.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.34
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide (CID 23398439) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide is O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide?
The InChIKey is HNQCVIGOPRZZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O/c23-15-10-12-17(13-11-15)27-14-20(22(28)25-16-6-2-1-3-7-16)26-21(27)18-8-4-5-9-19(18)24/h4-5,8-14,16H,1-3,6-7H2,(H,25,28).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide has a molecular weight of 414.34 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-cyclohexylimidazole-4-carboxamide is sourced from PubChem (CID 23398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).