1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide

C22H25BrN4O3 — CID 46359090

IUPAC1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H25BrN4O3/c1-29-17-4-6-20(30-2)15(11-17)13-24-21(28)14-7-9-27(10-8-14)22-25-18-5-3-16(23)12-19(18)26-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRZKUXRDIOJDNIO-UHFFFAOYSA-N
MW473.37 g/mol
LogP3.88
Rot. Bonds6

About 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide

1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 46359090) has the molecular formula C22H25BrN4O3 and a molecular weight of 473.37 g/mol. Its IUPAC name is 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID46359090
Molecular FormulaC22H25BrN4O3
Molecular Weight473.37 g/mol
Exact Mass472.11
IUPAC Name1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)c1
InChIInChI=1S/C22H25BrN4O3/c1-29-17-4-6-20(30-2)15(11-17)13-24-21(28)14-7-9-27(10-8-14)22-25-18-5-3-16(23)12-19(18)26-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyRZKUXRDIOJDNIO-UHFFFAOYSA-N
XLogP3.88
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.37
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
(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-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 46359100
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771293
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 82563531
(3R)-N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 92876862
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-4-carboxamide
CID 71839287
1-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 46259508
N-[(2,4-dimethoxyphenyl)methyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771237
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 46359090) is 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(OC)c(CNC(=O)C2CCN(c3nc4ccc(Br)cc4[nH]3)CC2)c1.
What is the InChIKey of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RZKUXRDIOJDNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN4O3/c1-29-17-4-6-20(30-2)15(11-17)13-24-21(28)14-7-9-27(10-8-14)22-25-18-5-3-16(23)12-19(18)26-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 473.37 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46359090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).