2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine

C10H12BrN3 — CID 83866913

IUPAC2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C10H12BrN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyPNZFSTNWMXKEPJ-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.39
Rot. Bonds2

About 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine

2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 83866913) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID83866913
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine
SMILESCC(CN)c1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C10H12BrN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14)
InChIKeyPNZFSTNWMXKEPJ-UHFFFAOYSA-N
XLogP2.39
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
2-(8-bromo-3-methylquinolin-2-yl)propan-1-amine
CID 84642495
4-chloro-2-pentan-2-yl-1H-benzimidazole
CID 60978644
2-(1-aminopropan-2-yl)-5-(2-bromophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439289
(1S)-1-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 83857640
2-(3H-imidazo[4,5-c]pyridin-2-yl)propan-1-amine
CID 63268874
2-[4-(1H-benzimidazol-2-yl)pentan-2-yl]-4-methyl-1H-benzimidazole
CID 151651960
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
2-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233278
2-(4-bromo-1H-benzimidazol-2-yl)ethanol
CID 83866918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine (CID 83866913) is 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine is CC(CN)c1nc2c(Br)cccc2[nH]1.
What is the InChIKey of 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is PNZFSTNWMXKEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-6(5-12)10-13-8-4-2-3-7(11)9(8)14-10/h2-4,6H,5,12H2,1H3,(H,13,14).
What are the key properties of 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine?
2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 254.13 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 83866913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).