N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine

C13H18BrN3 — CID 84644324

IUPACN-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
SMILESCc1cc(Br)c2nc(CNC(C)C)n(C)c2c1
InChIInChI=1S/C13H18BrN3/c1-8(2)15-7-12-16-13-10(14)5-9(3)6-11(13)17(12)4/h5-6,8,15H,7H2,1-4H3
InChIKeyKMAKTYBBACIJPH-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.14
Rot. Bonds3

About N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine

N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 84644324) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
PubChem CID84644324
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC NameN-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine
SMILESCc1cc(Br)c2nc(CNC(C)C)n(C)c2c1
InChIInChI=1S/C13H18BrN3/c1-8(2)15-7-12-16-13-10(14)5-9(3)6-11(13)17(12)4/h5-6,8,15H,7H2,1-4H3
InChIKeyKMAKTYBBACIJPH-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
N-[2-(4-chloro-1,6-dimethylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 84640127
(4-bromo-1,6-dimethylbenzimidazol-2-yl)hydrazine
CID 84635551
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
2-(4-bromo-1,6-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642999
N-[[2-(2-bromo-4-methylphenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 107915641
N-[(2-bromo-5-methylphenyl)methyl]propan-2-amine
CID 81110490
(1R)-1-(4-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 78921225
4-bromo-2,6-dimethyl-1-(2-methylphenyl)benzimidazole
CID 134857704
1,2,4,6-tetramethylbenzimidazole
CID 58565379
N-[(4-fluoro-1-methylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63065892
N-(2,6-dibromo-4-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 54917894

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine (CID 84644324) is N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine is Cc1cc(Br)c2nc(CNC(C)C)n(C)c2c1.
What is the InChIKey of N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is KMAKTYBBACIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-8(2)15-7-12-16-13-10(14)5-9(3)6-11(13)17(12)4/h5-6,8,15H,7H2,1-4H3.
What are the key properties of N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine?
N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 296.21 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,6-dimethylbenzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 84644324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).