N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide

C31H40ClN5O2 — CID 44535710

IUPACN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C31H40ClN5O2/c1-31(2,20-34-29(39)23-12-16-37(17-13-23)19-21-6-4-3-5-7-21)30-35-27(22-10-14-33-15-11-22)28(36-30)24-8-9-25(32)26(38)18-24/h8-11,14-15,18,21,23,38H,3-7,12-13,16-17,19-20H2,1-2H3,(H,34,39)(H,35,36)
InChIKeyIGIQWYQARIIWKF-UHFFFAOYSA-N
MW550.15 g/mol
LogP6.18
Rot. Bonds8

About N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide (PubChem CID 44535710) has the molecular formula C31H40ClN5O2 and a molecular weight of 550.15 g/mol. Its IUPAC name is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
PubChem CID44535710
Molecular FormulaC31H40ClN5O2
Molecular Weight550.15 g/mol
Exact Mass549.29
IUPAC NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C31H40ClN5O2/c1-31(2,20-34-29(39)23-12-16-37(17-13-23)19-21-6-4-3-5-7-21)30-35-27(22-10-14-33-15-11-22)28(36-30)24-8-9-25(32)26(38)18-24/h8-11,14-15,18,21,23,38H,3-7,12-13,16-17,19-20H2,1-2H3,(H,34,39)(H,35,36)
InChIKeyIGIQWYQARIIWKF-UHFFFAOYSA-N
XLogP6.18
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.15
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 44535696
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[2-(3,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 44535692
N-[2-[4-(4-bromo-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 44535248
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 67026535
N-(cyclohexylmethyl)-1-(5,6-dichloro-1H-benzimidazol-2-yl)piperidine-4-carboxamide
CID 67034029
N-(4-chloro-3-hydroxyphenyl)cyclooctanecarboxamide
CID 65023340
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]piperidine-4-carboxamide;hydrochloride
CID 75429785
3-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methoxy-N,2-dimethylpropanamide
CID 139949983
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033
N-[2-[4-[1-(hydroxyamino)-2,3-dihydro-1H-inden-5-yl]-5-[(Z)-3-(propylideneamino)prop-2-enyl]-1H-imidazol-2-yl]-2-methylpropyl]-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142129347
N-[3-(azepan-1-yl)propyl]-1-[(5-methyl-2-pyridin-4-yl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 45280479

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide (CID 44535710) is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(CC2CCCCC2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1.
What is the InChIKey of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide?
The InChIKey is IGIQWYQARIIWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40ClN5O2/c1-31(2,20-34-29(39)23-12-16-37(17-13-23)19-21-6-4-3-5-7-21)30-35-27(22-10-14-33-15-11-22)28(36-30)24-8-9-25(32)26(38)18-24/h8-11,14-15,18,21,23,38H,3-7,12-13,16-17,19-20H2,1-2H3,(H,34,39)(H,35,36).
What are the key properties of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide?
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide has a molecular weight of 550.15 g/mol, XLogP of 6.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-(cyclohexylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 44535710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).