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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).