2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

C21H23ClN4O3 — CID 175549227

IUPAC2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CC(n3c(=O)[nH]c4cc(C)ccc43)CCN2C(N)=O)cc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-12-3-5-17-16(9-12)24-21(28)26(17)14-7-8-25(20(23)27)18(11-14)13-4-6-19(29-2)15(22)10-13/h3-6,9-10,14,18H,7-8,11H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyDMUHPZYXKBXEHD-UHFFFAOYSA-N
MW414.89 g/mol
LogP3.76
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide

2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (PubChem CID 175549227) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
PubChem CID175549227
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
SMILESCOc1ccc(C2CC(n3c(=O)[nH]c4cc(C)ccc43)CCN2C(N)=O)cc1Cl
InChIInChI=1S/C21H23ClN4O3/c1-12-3-5-17-16(9-12)24-21(28)26(17)14-7-8-25(20(23)27)18(11-14)13-4-6-19(29-2)15(22)10-13/h3-6,9-10,14,18H,7-8,11H2,1-2H3,(H2,23,27)(H,24,28)
InChIKeyDMUHPZYXKBXEHD-UHFFFAOYSA-N
XLogP3.76
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-4-(2-oxo-4-pyridin-3-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 175549215
2-(3-methoxy-4-methylphenyl)-4-(2-oxo-4-pyrazol-1-yl-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 175549175
2-(3,4-dichlorophenyl)-4-[4-(2-ethoxy-3-pyridinyl)-2-oxo-3H-benzimidazol-1-yl]piperidine-1-carboxamide
CID 175549230
3-[1-(2-chloro-6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785905
6-methyl-3-(1-methylpyrrolidin-3-yl)-1H-benzimidazol-2-one
CID 117207011
tert-butyl 4-(5-chloro-6-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59850206
6-methyl-3-[1-(4-methylpyrrolidin-3-yl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 68633558
4-methoxy-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 55431976
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
tert-butyl 2-(4-chloro-3-methoxyphenyl)-4-hydroxypiperidine-1-carboxylate
CID 68803265
5-methyl-2-oxo-3H-benzimidazole-1-carbonyl chloride
CID 21444849
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide (CID 175549227) is 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is COc1ccc(C2CC(n3c(=O)[nH]c4cc(C)ccc43)CCN2C(N)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
The InChIKey is DMUHPZYXKBXEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-12-3-5-17-16(9-12)24-21(28)26(17)14-7-8-25(20(23)27)18(11-14)13-4-6-19(29-2)15(22)10-13/h3-6,9-10,14,18H,7-8,11H2,1-2H3,(H2,23,27)(H,24,28).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide?
2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-4-(5-methyl-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 175549227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).