1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

C21H23BrN4O2 — CID 46359100

IUPAC1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C21H23BrN4O2/c1-28-19-7-3-2-5-14(19)12-23-20(27)15-6-4-10-26(13-15)21-24-17-9-8-16(22)11-18(17)25-21/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyVXWKSBQNGSDZTM-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.87
Rot. Bonds5

About 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46359100) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID46359100
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C21H23BrN4O2/c1-28-19-7-3-2-5-14(19)12-23-20(27)15-6-4-10-26(13-15)21-24-17-9-8-16(22)11-18(17)25-21/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,23,27)(H,24,25)
InChIKeyVXWKSBQNGSDZTM-UHFFFAOYSA-N
XLogP3.87
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
(3R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876918
(3S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876919
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359090
1-(6-bromo-1H-benzimidazol-2-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 46359098
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92876558
(3R)-1-(1H-benzimidazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 92876760
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751
(3R)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 92876520

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (CID 46359100) is 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(c2nc3ccc(Br)cc3[nH]2)C1.
What is the InChIKey of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is VXWKSBQNGSDZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-28-19-7-3-2-5-14(19)12-23-20(27)15-6-4-10-26(13-15)21-24-17-9-8-16(22)11-18(17)25-21/h2-3,5,7-9,11,15H,4,6,10,12-13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide?
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 443.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46359100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).