3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine

C11H14BrN3 — CID 83902839

IUPAC3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
SMILESCn1cnc2cc(CCCN)cc(Br)c21
InChIInChI=1S/C11H14BrN3/c1-15-7-14-10-6-8(3-2-4-13)5-9(12)11(10)15/h5-7H,2-4,13H2,1H3
InChIKeyVGSZOWTWFJBXEV-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.23
Rot. Bonds3

About 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine

3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine (PubChem CID 83902839) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
PubChem CID83902839
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine
SMILESCn1cnc2cc(CCCN)cc(Br)c21
InChIInChI=1S/C11H14BrN3/c1-15-7-14-10-6-8(3-2-4-13)5-9(12)11(10)15/h5-7H,2-4,13H2,1H3
InChIKeyVGSZOWTWFJBXEV-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylimidazo[4,5-b]pyridin-6-yl)ethanamine
CID 83874573
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-(3-bromo-2-methylindazol-5-yl)propan-1-amine
CID 84729937
3-(3-bromo-4-methylphenyl)propan-1-amine
CID 82054491
3-(3-bromo-5-ethyl-4-fluorophenyl)propan-1-amine
CID 117404097
3-(3-bromo-5-methoxy-4-methylphenyl)propan-1-amine
CID 117398523
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
1-(7-chloro-1-methylbenzimidazol-5-yl)propan-2-amine
CID 83891504
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
3-(4-bromo-3,5-difluorophenyl)propan-1-amine
CID 84803840
3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
CID 82492930
2-(7-chloro-1-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 83897839

Frequently Asked Questions

What is the IUPAC name of 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine?
The IUPAC name of 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine (CID 83902839) is 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine is Cn1cnc2cc(CCCN)cc(Br)c21.
What is the InChIKey of 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine?
The InChIKey is VGSZOWTWFJBXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-15-7-14-10-6-8(3-2-4-13)5-9(12)11(10)15/h5-7H,2-4,13H2,1H3.
What are the key properties of 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine?
3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-bromo-1-methylbenzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 83902839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).