2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide

C26H36ClN3O2 — CID 58999148

IUPAC2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(C(=O)NC2CCCCC2)c(C)n1CCC1CCCCC1
InChIInChI=1S/C26H36ClN3O2/c1-18-24(26(31)28-21-11-7-4-8-12-21)29-25(22-17-20(27)13-14-23(22)32-2)30(18)16-15-19-9-5-3-6-10-19/h13-14,17,19,21H,3-12,15-16H2,1-2H3,(H,28,31)
InChIKeyRGSYPOWCEXVBOY-UHFFFAOYSA-N
MW458.05 g/mol
LogP6.55
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide

2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide (PubChem CID 58999148) has the molecular formula C26H36ClN3O2 and a molecular weight of 458.05 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
PubChem CID58999148
Molecular FormulaC26H36ClN3O2
Molecular Weight458.05 g/mol
Exact Mass457.25
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(C(=O)NC2CCCCC2)c(C)n1CCC1CCCCC1
InChIInChI=1S/C26H36ClN3O2/c1-18-24(26(31)28-21-11-7-4-8-12-21)29-25(22-17-20(27)13-14-23(22)32-2)30(18)16-15-19-9-5-3-6-10-19/h13-14,17,19,21H,3-12,15-16H2,1-2H3,(H,28,31)
InChIKeyRGSYPOWCEXVBOY-UHFFFAOYSA-N
XLogP6.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.05
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 58999128
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
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
CID 46857957
N-cyclohexyl-1-(cyclohexylmethyl)-5-(5-fluoro-2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 58999057
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
5-chloro-N-[2-[1-(cyclohexylcarbamothioylsulfamoyl)piperidin-4-yl]ethyl]-2-methoxybenzamide
CID 59660712
5-chloro-N-cyclohexyl-2-methylbenzamide
CID 83407385
2-N-(5-chloro-2-methoxyphenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095044
4-(5-chloro-2-methoxyanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204841
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 91209965

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide (CID 58999148) is 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide is COc1ccc(Cl)cc1-c1nc(C(=O)NC2CCCCC2)c(C)n1CCC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide?
The InChIKey is RGSYPOWCEXVBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClN3O2/c1-18-24(26(31)28-21-11-7-4-8-12-21)29-25(22-17-20(27)13-14-23(22)32-2)30(18)16-15-19-9-5-3-6-10-19/h13-14,17,19,21H,3-12,15-16H2,1-2H3,(H,28,31).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide?
2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide has a molecular weight of 458.05 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 58999148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).