3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine

C11H14BrN3 — CID 83902878

IUPAC3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2[nH]cnc2cc1Br
InChIInChI=1S/C11H14BrN3/c1-7(5-13)2-8-3-10-11(4-9(8)12)15-6-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15)
InChIKeyYGUWLQQMZSAMGA-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.46
Rot. Bonds3

About 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine

3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine (PubChem CID 83902878) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
PubChem CID83902878
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1cc2[nH]cnc2cc1Br
InChIInChI=1S/C11H14BrN3/c1-7(5-13)2-8-3-10-11(4-9(8)12)15-6-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15)
InChIKeyYGUWLQQMZSAMGA-UHFFFAOYSA-N
XLogP2.46
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
CID 83891497
2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
CID 83903801
ethyl 6-(bromomethyl)-1H-benzimidazole-5-carboxylate
CID 131327672
(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
CID 54502108
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N',2-dimethylbutane-1,4-diamine
CID 115203481
2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
1H-benzimidazole;propane-1,2-diamine
CID 174972252
4-amino-N-(3H-benzimidazol-5-ylmethyl)-3-methylbutanamide
CID 115156392
6-bromo-3H-benzimidazole-5-sulfonyl chloride
CID 130892663
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
6-(hydroxymethyl)-1H-benzimidazol-5-ol
CID 130998540
4-bromo-5-methylbenzene-1,2-diamine;5-bromo-6-methyl-1H-benzimidazole;formic acid
CID 158989631

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine (CID 83902878) is 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine is CC(CN)Cc1cc2[nH]cnc2cc1Br.
What is the InChIKey of 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
The InChIKey is YGUWLQQMZSAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-7(5-13)2-8-3-10-11(4-9(8)12)15-6-14-10/h3-4,6-7H,2,5,13H2,1H3,(H,14,15).
What are the key properties of 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine?
3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83902878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).