5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole

C16H22BrN3 — CID 62218072

IUPAC5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCCn1c(CCC2CCCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrN3/c1-2-20-15-8-6-12(17)11-14(15)19-16(20)9-7-13-5-3-4-10-18-13/h6,8,11,13,18H,2-5,7,9-10H2,1H3
InChIKeyHMXNGWHDGYODJQ-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole

5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole (PubChem CID 62218072) has the molecular formula C16H22BrN3 and a molecular weight of 336.28 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
PubChem CID62218072
Molecular FormulaC16H22BrN3
Molecular Weight336.28 g/mol
Exact Mass335.10
IUPAC Name5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole
SMILESCCn1c(CCC2CCCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C16H22BrN3/c1-2-20-15-8-6-12(17)11-14(15)19-16(20)9-7-13-5-3-4-10-18-13/h6,8,11,13,18H,2-5,7,9-10H2,1H3
InChIKeyHMXNGWHDGYODJQ-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62217546
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
N-[2-(5-bromo-1-ethylbenzimidazol-2-yl)ethyl]cyclopropanamine
CID 54924007
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
6-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 115472334
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
7-bromo-2-(chloromethyl)-3-(piperidin-2-ylmethyl)quinazolin-4-one
CID 58574145
[2-(2-cyclopentylethyl)-1-ethylbenzimidazol-5-yl]methanamine
CID 65038299
2-[5-bromo-1-(cyclopentylmethyl)benzimidazol-2-yl]ethanol
CID 58189371
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
CID 81318771

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole (CID 62218072) is 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole is CCn1c(CCC2CCCCN2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole?
The InChIKey is HMXNGWHDGYODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3/c1-2-20-15-8-6-12(17)11-14(15)19-16(20)9-7-13-5-3-4-10-18-13/h6,8,11,13,18H,2-5,7,9-10H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole?
5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole has a molecular weight of 336.28 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-(2-piperidin-2-ylethyl)benzimidazole is sourced from PubChem (CID 62218072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).