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

C25H32ClF2N3O — CID 142919692

IUPAC2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide
SMILESC=CC(F)(F)CCNC(=O)c1nc(-c2cc(Cl)ccc2C)n(CCC2CCCCC2)c1C
InChIInChI=1S/C25H32ClF2N3O/c1-4-25(27,28)13-14-29-24(32)22-18(3)31(15-12-19-8-6-5-7-9-19)23(30-22)21-16-20(26)11-10-17(21)2/h4,10-11,16,19H,1,5-9,12-15H2,2-3H3,(H,29,32)
InChIKeyPNFVMJUFWRPCJW-UHFFFAOYSA-N
MW464.00 g/mol
LogP6.73
Rot. Bonds9

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

2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide (PubChem CID 142919692) has the molecular formula C25H32ClF2N3O and a molecular weight of 464.00 g/mol. Its IUPAC name is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide
PubChem CID142919692
Molecular FormulaC25H32ClF2N3O
Molecular Weight464.00 g/mol
Exact Mass463.22
IUPAC Name2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide
SMILESC=CC(F)(F)CCNC(=O)c1nc(-c2cc(Cl)ccc2C)n(CCC2CCCCC2)c1C
InChIInChI=1S/C25H32ClF2N3O/c1-4-25(27,28)13-14-29-24(32)22-18(3)31(15-12-19-8-6-5-7-9-19)23(30-22)21-16-20(26)11-10-17(21)2/h4,10-11,16,19H,1,5-9,12-15H2,2-3H3,(H,29,32)
InChIKeyPNFVMJUFWRPCJW-UHFFFAOYSA-N
XLogP6.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.00
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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-difluorobutyl)-5-methylimidazole-4-carboxamide
CID 162579786
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
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
5-chloro-N-(cyclohexylmethyl)-2-fluorobenzamide
CID 60674706
N-(2-cyclopentylethyl)-2-fluoro-5-methylbenzamide
CID 62509050

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide (CID 142919692) is 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide is C=CC(F)(F)CCNC(=O)c1nc(-c2cc(Cl)ccc2C)n(CCC2CCCCC2)c1C.
What is the InChIKey of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide?
The InChIKey is PNFVMJUFWRPCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClF2N3O/c1-4-25(27,28)13-14-29-24(32)22-18(3)31(15-12-19-8-6-5-7-9-19)23(30-22)21-16-20(26)11-10-17(21)2/h4,10-11,16,19H,1,5-9,12-15H2,2-3H3,(H,29,32).
What are the key properties of 2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide?
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide has a molecular weight of 464.00 g/mol, XLogP of 6.73, 9 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-difluoropent-4-enyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 142919692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).