1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine

C13H18BrN3 — CID 113428425

IUPAC1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
SMILESCc1cc(Br)cc2[nH]c(CC(N)C(C)C)nc12
InChIInChI=1S/C13H18BrN3/c1-7(2)10(15)6-12-16-11-5-9(14)4-8(3)13(11)17-12/h4-5,7,10H,6,15H2,1-3H3,(H,16,17)
InChIKeySUXCTVIEVOXEAP-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.16
Rot. Bonds3

About 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine

1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine (PubChem CID 113428425) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
PubChem CID113428425
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
SMILESCc1cc(Br)cc2[nH]c(CC(N)C(C)C)nc12
InChIInChI=1S/C13H18BrN3/c1-7(2)10(15)6-12-16-11-5-9(14)4-8(3)13(11)17-12/h4-5,7,10H,6,15H2,1-3H3,(H,16,17)
InChIKeySUXCTVIEVOXEAP-UHFFFAOYSA-N
XLogP3.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
CID 113428442
3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
CID 104574108
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 104574011
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
6-bromo-2-(3,3-dimethylbutyl)-4-methyl-1H-benzimidazole
CID 114212796
6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
CID 104574519
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)propan-1-amine
CID 104574043
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 104574289
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
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

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine?
The IUPAC name of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine (CID 113428425) is 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine is Cc1cc(Br)cc2[nH]c(CC(N)C(C)C)nc12.
What is the InChIKey of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine?
The InChIKey is SUXCTVIEVOXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-7(2)10(15)6-12-16-11-5-9(14)4-8(3)13(11)17-12/h4-5,7,10H,6,15H2,1-3H3,(H,16,17).
What are the key properties of 1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine?
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine has a molecular weight of 296.21 g/mol, XLogP of 3.16, 3 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)-3-methylbutan-2-amine is sourced from PubChem (CID 113428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).