2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine

C13H16BrN3 — CID 84815301

IUPAC2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(C2CCC2)nc2cc(Br)ccc21
InChIInChI=1S/C13H16BrN3/c14-10-4-5-12-11(8-10)16-13(9-2-1-3-9)17(12)7-6-15/h4-5,8-9H,1-3,6-7,15H2
InChIKeyGYOZUIPYYMKZRE-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.03
Rot. Bonds3

About 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine

2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine (PubChem CID 84815301) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine
PubChem CID84815301
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(C2CCC2)nc2cc(Br)ccc21
InChIInChI=1S/C13H16BrN3/c14-10-4-5-12-11(8-10)16-13(9-2-1-3-9)17(12)7-6-15/h4-5,8-9H,1-3,6-7,15H2
InChIKeyGYOZUIPYYMKZRE-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
2-(2-cyclohexyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145885
6-bromo-2-cyclobutyl-1-[2-(trifluoromethoxy)ethyl]benzimidazole
CID 126572581
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
3-(5-chloro-2-cyclohexylbenzimidazol-1-yl)propan-1-ol
CID 13105617
1-[(3-bromophenyl)methyl]-2-cyclopropylbenzimidazol-5-amine
CID 62494124
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine (CID 84815301) is 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine is NCCn1c(C2CCC2)nc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine?
The InChIKey is GYOZUIPYYMKZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-10-4-5-12-11(8-10)16-13(9-2-1-3-9)17(12)7-6-15/h4-5,8-9H,1-3,6-7,15H2.
What are the key properties of 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine?
2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine has a molecular weight of 294.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-cyclobutylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 84815301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).