2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C25H24ClN5O3 — CID 175549215

IUPAC2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CC(n3c(=O)[nH]c4c(-c5cccnc5)cccc43)CCN2C(N)=O)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-34-22-8-7-15(12-19(22)26)21-13-17(9-11-30(21)24(27)32)31-20-6-2-5-18(23(20)29-25(31)33)16-4-3-10-28-14-16/h2-8,10,12,14,17,21H,9,11,13H2,1H3,(H2,27,32)(H,29,33)
InChIKeyJMPFIFJKOOUDMZ-UHFFFAOYSA-N
MW477.95 g/mol
LogP4.51
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide

2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 175549215) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID175549215
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CC(n3c(=O)[nH]c4c(-c5cccnc5)cccc43)CCN2C(N)=O)cc1Cl
InChIInChI=1S/C25H24ClN5O3/c1-34-22-8-7-15(12-19(22)26)21-13-17(9-11-30(21)24(27)32)31-20-6-2-5-18(23(20)29-25(31)33)16-4-3-10-28-14-16/h2-8,10,12,14,17,21H,9,11,13H2,1H3,(H2,27,32)(H,29,33)
InChIKeyJMPFIFJKOOUDMZ-UHFFFAOYSA-N
XLogP4.51
TPSA106.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide
CID 175549230
2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 175549227
2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 175549175
4-[4-(5-amino-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]-N-(4-chloro-3-methoxyphenyl)piperidine-1-carboxamide
CID 151708492
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
4-[1-[1-[(3,4-dichlorophenyl)carbamoyl]piperidin-4-yl]-2-oxo-3H-benzimidazol-4-yl]benzoic acid
CID 150386876
N-(3,4-dichlorophenyl)-4-[2-oxo-4-(4-sulfamoylphenyl)-3H-benzimidazol-1-yl]piperidine-1-carboxamide
CID 147754001
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
3-(3-chloro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120732081
3-(2-methoxyphenyl)pyridine
CID 4133297

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 175549215) is 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide is COc1ccc(C2CC(n3c(=O)[nH]c4c(-c5cccnc5)cccc43)CCN2C(N)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is JMPFIFJKOOUDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-34-22-8-7-15(12-19(22)26)21-13-17(9-11-30(21)24(27)32)31-20-6-2-5-18(23(20)29-25(31)33)16-4-3-10-28-14-16/h2-8,10,12,14,17,21H,9,11,13H2,1H3,(H2,27,32)(H,29,33).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175549215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).