[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

C13H16BrN3 — CID 104574075

IUPAC[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(C3(CN)CCC3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-5-9(14)6-10-11(8)17-12(16-10)13(7-15)3-2-4-13/h5-6H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyZVXHIYQIDUPBJB-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.01
Rot. Bonds2

About [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine

[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (PubChem CID 104574075) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
PubChem CID104574075
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
SMILESCc1cc(Br)cc2[nH]c(C3(CN)CCC3)nc12
InChIInChI=1S/C13H16BrN3/c1-8-5-9(14)6-10-11(8)17-12(16-10)13(7-15)3-2-4-13/h5-6H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyZVXHIYQIDUPBJB-UHFFFAOYSA-N
XLogP3.01
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4,6-dimethyl-1H-benzimidazol-2-yl)cyclohexyl]methanamine
CID 82946428
[1-(4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445762
[1-[(6-bromo-4-methyl-1H-benzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 104574289
[1-(5,6-dimethyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445764
6-bromo-4-methyl-2-(2-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 104574247
2-(1-ethylcyclopentyl)-4,6-dimethyl-1H-benzimidazole
CID 82947488
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
[1-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexyl]methanamine
CID 115436274
[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclopentyl]methanamine
CID 113428423
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574111
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684

Frequently Asked Questions

What is the IUPAC name of [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine (CID 104574075) is [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine is Cc1cc(Br)cc2[nH]c(C3(CN)CCC3)nc12.
What is the InChIKey of [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
The InChIKey is ZVXHIYQIDUPBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-8-5-9(14)6-10-11(8)17-12(16-10)13(7-15)3-2-4-13/h5-6H,2-4,7,15H2,1H3,(H,16,17).
What are the key properties of [1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine?
[1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine has a molecular weight of 294.20 g/mol, XLogP of 3.01, 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)cyclobutyl]methanamine is sourced from PubChem (CID 104574075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).