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

C22H20Cl3N3O — CID 11247889

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
InChIKeyYCVHHBIJYZETRR-UHFFFAOYSA-N
MW448.78 g/mol
LogP6.56
Rot. Bonds4

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

1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide (PubChem CID 11247889) has the molecular formula C22H20Cl3N3O and a molecular weight of 448.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide
PubChem CID11247889
Molecular FormulaC22H20Cl3N3O
Molecular Weight448.78 g/mol
Exact Mass447.07
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29)
InChIKeyYCVHHBIJYZETRR-UHFFFAOYSA-N
XLogP6.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide (CID 11247889) is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide is O=C(NC1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide?
The InChIKey is YCVHHBIJYZETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O/c23-14-6-9-17(10-7-14)28-13-20(22(29)26-16-4-2-1-3-5-16)27-21(28)18-11-8-15(24)12-19(18)25/h6-13,16H,1-5H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide has a molecular weight of 448.78 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 11247889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).