2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide

C24H32ClF2N3O — CID 162579786

IUPAC2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-c1nc(C(=O)NCCC(C)(F)F)c(C)n1CCC1CCCCC1
InChIInChI=1S/C24H32ClF2N3O/c1-16-9-10-19(25)15-20(16)22-29-21(23(31)28-13-12-24(3,26)27)17(2)30(22)14-11-18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14H2,1-3H3,(H,28,31)
InChIKeyPGAHZWBEAKWFPX-UHFFFAOYSA-N
MW451.99 g/mol
LogP6.57
Rot. Bonds8

About 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide (PubChem CID 162579786) has the molecular formula C24H32ClF2N3O and a molecular weight of 451.99 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
PubChem CID162579786
Molecular FormulaC24H32ClF2N3O
Molecular Weight451.99 g/mol
Exact Mass451.22
IUPAC Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
SMILESCc1ccc(Cl)cc1-c1nc(C(=O)NCCC(C)(F)F)c(C)n1CCC1CCCCC1
InChIInChI=1S/C24H32ClF2N3O/c1-16-9-10-19(25)15-20(16)22-29-21(23(31)28-13-12-24(3,26)27)17(2)30(22)14-11-18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14H2,1-3H3,(H,28,31)
InChIKeyPGAHZWBEAKWFPX-UHFFFAOYSA-N
XLogP6.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.99
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 58999095
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
6-chloro-N-(3-cyclohexylpropyl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 165414128
N-(2-cyclopentylethyl)-4-fluoro-3-methylbenzamide
CID 63212188
1-(cyclohexylmethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 91236758
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-chloro-N-(2-cyclohexylethyl)-6-methylpyridine-4-carboxamide
CID 113378333
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-1-[2-(oxan-4-yl)ethyl]pyrrole-3-carboxamide
CID 11670194
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide (CID 162579786) is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide is Cc1ccc(Cl)cc1-c1nc(C(=O)NCCC(C)(F)F)c(C)n1CCC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide?
The InChIKey is PGAHZWBEAKWFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClF2N3O/c1-16-9-10-19(25)15-20(16)22-29-21(23(31)28-13-12-24(3,26)27)17(2)30(22)14-11-18-7-5-4-6-8-18/h9-10,15,18H,4-8,11-14H2,1-3H3,(H,28,31).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide?
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide has a molecular weight of 451.99 g/mol, XLogP of 6.57, 8 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)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 162579786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).