1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine

C11H14BrN3 — CID 104574043

IUPAC1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-3-8(13)11-14-9-5-7(12)4-6(2)10(9)15-11/h4-5,8H,3,13H2,1-2H3,(H,14,15)
InChIKeyDWCQJYDPWBMLAX-UHFFFAOYSA-N
MW268.16 g/mol
LogP3.04
Rot. Bonds2

About 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine

1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine (PubChem CID 104574043) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
PubChem CID104574043
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
SMILESCCC(N)c1nc2c(C)cc(Br)cc2[nH]1
InChIInChI=1S/C11H14BrN3/c1-3-8(13)11-14-9-5-7(12)4-6(2)10(9)15-11/h4-5,8H,3,13H2,1-2H3,(H,14,15)
InChIKeyDWCQJYDPWBMLAX-UHFFFAOYSA-N
XLogP3.04
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574111
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methoxypropan-1-amine
CID 113428408
6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
CID 112706374
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 104574201
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
(6-bromo-4-methyl-1H-benzimidazol-2-yl)-phenylmethanol
CID 104574600
6-bromo-2-[methoxy(phenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574511
1-(4,6-dimethyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 82947373
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pentan-1-amine
CID 82946593
6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
CID 113428442

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine (CID 104574043) is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine is CCC(N)c1nc2c(C)cc(Br)cc2[nH]1.
What is the InChIKey of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine?
The InChIKey is DWCQJYDPWBMLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-8(13)11-14-9-5-7(12)4-6(2)10(9)15-11/h4-5,8H,3,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine?
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 104574043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).