ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate

C15H18BrN3O2 — CID 82563531

IUPACethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C15H18BrN3O2/c1-2-21-14(20)10-5-7-19(8-6-10)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyLMWPSZOLMDWNSX-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.10
Rot. Bonds3

About ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate

ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate (PubChem CID 82563531) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
PubChem CID82563531
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Nameethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2nc3ccc(Br)cc3[nH]2)CC1
InChIInChI=1S/C15H18BrN3O2/c1-2-21-14(20)10-5-7-19(8-6-10)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyLMWPSZOLMDWNSX-UHFFFAOYSA-N
XLogP3.10
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 70654030
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359079
2-(3-ethoxycarbonylpiperidin-1-yl)-3H-benzimidazole-5-carboxylic acid
CID 82563127
1-(6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 3556705
1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46359090
ethyl 1-[1-(1H-benzimidazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 46359174
6-bromo-2-piperazin-1-yl-1H-benzimidazole
CID 82563523
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-butylpiperidine-3-carboxamide
CID 92876535
ethyl 1-(5-bromo-2-fluorobenzoyl)piperidine-4-carboxylate
CID 28826033
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876557
6-amino-2-(4-ethoxycarbonylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 50806111
ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate (CID 82563531) is ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2nc3ccc(Br)cc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate?
The InChIKey is LMWPSZOLMDWNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-2-21-14(20)10-5-7-19(8-6-10)15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9-10H,2,5-8H2,1H3,(H,17,18).
What are the key properties of ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate?
ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate has a molecular weight of 352.23 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-bromo-1H-benzimidazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 82563531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).