5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole

C14H18BrN3 — CID 60784120

IUPAC5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
SMILESCCn1c(C2CCCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-2-18-13-7-6-10(15)9-12(13)17-14(18)11-5-3-4-8-16-11/h6-7,9,11,16H,2-5,8H2,1H3
InChIKeyYHNCLQKYRXQMMA-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.63
Rot. Bonds2

About 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole

5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole (PubChem CID 60784120) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
PubChem CID60784120
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
SMILESCCn1c(C2CCCCN2)nc2cc(Br)ccc21
InChIInChI=1S/C14H18BrN3/c1-2-18-13-7-6-10(15)9-12(13)17-14(18)11-5-3-4-8-16-11/h6-7,9,11,16H,2-5,8H2,1H3
InChIKeyYHNCLQKYRXQMMA-UHFFFAOYSA-N
XLogP3.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-ethyl-2-[(2S)-piperidin-2-yl]indole
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CID 107070471
2-cycloheptyl-1-ethylbenzimidazole-5-carbonitrile
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2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
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N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
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1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole (CID 60784120) is 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole is CCn1c(C2CCCCN2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole?
The InChIKey is YHNCLQKYRXQMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-2-18-13-7-6-10(15)9-12(13)17-14(18)11-5-3-4-8-16-11/h6-7,9,11,16H,2-5,8H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole?
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole has a molecular weight of 308.22 g/mol, XLogP of 3.63, 2 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-piperidin-2-ylbenzimidazole is sourced from PubChem (CID 60784120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).