2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C23H29ClF3N3O — CID 58999095

IUPAC2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-c1nc(C(=O)NCCC(F)(F)F)c(C)n1CCC1CCCCC1
InChIInChI=1S/C23H29ClF3N3O/c1-15-8-9-18(24)14-19(15)21-29-20(22(31)28-12-11-23(25,26)27)16(2)30(21)13-10-17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3,(H,28,31)
InChIKeyJBWXJLOMYNHJAO-UHFFFAOYSA-N
MW455.95 g/mol
LogP6.47
Rot. Bonds7

About 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 58999095) has the molecular formula C23H29ClF3N3O and a molecular weight of 455.95 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID58999095
Molecular FormulaC23H29ClF3N3O
Molecular Weight455.95 g/mol
Exact Mass455.20
IUPAC Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-c1nc(C(=O)NCCC(F)(F)F)c(C)n1CCC1CCCCC1
InChIInChI=1S/C23H29ClF3N3O/c1-15-8-9-18(24)14-19(15)21-29-20(22(31)28-12-11-23(25,26)27)16(2)30(21)13-10-17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3,(H,28,31)
InChIKeyJBWXJLOMYNHJAO-UHFFFAOYSA-N
XLogP6.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.95
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
CID 162579786
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide
CID 142919692
2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
CID 58999148
2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 58999128
1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 91236758
6-chloro-N-(3-cyclohexylpropyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414128
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
5-chloro-N-(2-cyclobutylethyl)-2-iodobenzamide
CID 103747308
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
5-(4-chloro-2-methylphenyl)-1-(cyclohexylmethyl)-2-methylpyrrole-3-carboxamide
CID 142919716

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 58999095) is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is Cc1ccc(Cl)cc1-c1nc(C(=O)NCCC(F)(F)F)c(C)n1CCC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is JBWXJLOMYNHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClF3N3O/c1-15-8-9-18(24)14-19(15)21-29-20(22(31)28-12-11-23(25,26)27)16(2)30(21)13-10-17-6-4-3-5-7-17/h8-9,14,17H,3-7,10-13H2,1-2H3,(H,28,31).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 58999095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).