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

C31H33Cl2N5O2 — CID 44535696

IUPACN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C31H33Cl2N5O2/c1-31(2,19-35-29(40)22-11-15-38(16-12-22)18-20-3-6-24(32)7-4-20)30-36-27(21-9-13-34-14-10-21)28(37-30)23-5-8-25(33)26(39)17-23/h3-10,13-14,17,22,39H,11-12,15-16,18-19H2,1-2H3,(H,35,40)(H,36,37)
InChIKeyMMWJADBYULECMM-UHFFFAOYSA-N
MW578.54 g/mol
LogP6.46
Rot. Bonds8

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

N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 44535696) has the molecular formula C31H33Cl2N5O2 and a molecular weight of 578.54 g/mol. Its IUPAC name is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID44535696
Molecular FormulaC31H33Cl2N5O2
Molecular Weight578.54 g/mol
Exact Mass577.20
IUPAC NameN-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)(CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c(O)c2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C31H33Cl2N5O2/c1-31(2,19-35-29(40)22-11-15-38(16-12-22)18-20-3-6-24(32)7-4-20)30-36-27(21-9-13-34-14-10-21)28(37-30)23-5-8-25(33)26(39)17-23/h3-10,13-14,17,22,39H,11-12,15-16,18-19H2,1-2H3,(H,35,40)(H,36,37)
InChIKeyMMWJADBYULECMM-UHFFFAOYSA-N
XLogP6.46
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.54
LogP ≤ 56.46
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-(cyclohexylmethyl)piperidine-4-carboxamide
CID 44535710
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
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397
5-[2-[1-(butylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 154232971
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43920957
[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 18440792
1-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;oxalic acid
CID 163328469
N-(2-methyl-2-pyridin-4-ylpropyl)piperidine-4-carboxamide
CID 115160070
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 122175211

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-[(4-chlorophenyl)methyl]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-[(4-chlorophenyl)methyl]piperidine-4-carboxamide (CID 44535696) is N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]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-[(4-chlorophenyl)methyl]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-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is CC(C)(CNC(=O)C1CCN(Cc2ccc(Cl)cc2)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-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is MMWJADBYULECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33Cl2N5O2/c1-31(2,19-35-29(40)22-11-15-38(16-12-22)18-20-3-6-24(32)7-4-20)30-36-27(21-9-13-34-14-10-21)28(37-30)23-5-8-25(33)26(39)17-23/h3-10,13-14,17,22,39H,11-12,15-16,18-19H2,1-2H3,(H,35,40)(H,36,37).
What are the key properties of N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide?
N-[2-[4-(4-chloro-3-hydroxyphenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 578.54 g/mol, XLogP of 6.46, 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-[(4-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 44535696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).