2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

C25H35ClN4O2 — CID 58999128

IUPAC2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(C(=O)NN2CCCCC2)c(C)n1CCC1CCCCC1
InChIInChI=1S/C25H35ClN4O2/c1-18-23(25(31)28-29-14-7-4-8-15-29)27-24(21-17-20(26)11-12-22(21)32-2)30(18)16-13-19-9-5-3-6-10-19/h11-12,17,19H,3-10,13-16H2,1-2H3,(H,28,31)
InChIKeyDQEJFIWNYJYQMT-UHFFFAOYSA-N
MW459.03 g/mol
LogP5.62
Rot. Bonds7

About 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 58999128) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID58999128
Molecular FormulaC25H35ClN4O2
Molecular Weight459.03 g/mol
Exact Mass458.24
IUPAC Name2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nc(C(=O)NN2CCCCC2)c(C)n1CCC1CCCCC1
InChIInChI=1S/C25H35ClN4O2/c1-18-23(25(31)28-29-14-7-4-8-15-29)27-24(21-17-20(26)11-12-22(21)32-2)30(18)16-13-19-9-5-3-6-10-19/h11-12,17,19H,3-10,13-16H2,1-2H3,(H,28,31)
InChIKeyDQEJFIWNYJYQMT-UHFFFAOYSA-N
XLogP5.62
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.03
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-cyclohexyl-1-(2-cyclohexylethyl)-5-methylimidazole-4-carboxamide
CID 58999148
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
CID 58999095
4-(5-chloro-2-methoxyphenyl)-1-(cyclohexylmethyl)-2-methyl-N-piperidin-1-ylpyrrole-3-carboxamide
CID 91209965
2-(5-chloro-2-methylphenyl)-1-(2-cyclohexylethyl)-N-(3,3-difluorobutyl)-5-methylimidazole-4-carboxamide
CID 162579786
2-(2,4-dichlorophenyl)-1,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 10309178
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzamide
CID 2666780
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
5-(cyclopentylmethyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 90036440
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 59232528
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 23654363

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 58999128) is 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is COc1ccc(Cl)cc1-c1nc(C(=O)NN2CCCCC2)c(C)n1CCC1CCCCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is DQEJFIWNYJYQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O2/c1-18-23(25(31)28-29-14-7-4-8-15-29)27-24(21-17-20(26)11-12-22(21)32-2)30(18)16-13-19-9-5-3-6-10-19/h11-12,17,19H,3-10,13-16H2,1-2H3,(H,28,31).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 459.03 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-1-(2-cyclohexylethyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 58999128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).