1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine

C11H12BrN3 — CID 81161162

IUPAC1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nc3ccc(Br)cc3[nH]2)CCC1
InChIInChI=1S/C11H12BrN3/c12-7-2-3-8-9(6-7)15-10(14-8)11(13)4-1-5-11/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyQGCPDXDOGWYSCH-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.66
Rot. Bonds1

About 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine

1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine (PubChem CID 81161162) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
PubChem CID81161162
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine
SMILESNC1(c2nc3ccc(Br)cc3[nH]2)CCC1
InChIInChI=1S/C11H12BrN3/c12-7-2-3-8-9(6-7)15-10(14-8)11(13)4-1-5-11/h2-3,6H,1,4-5,13H2,(H,14,15)
InChIKeyQGCPDXDOGWYSCH-UHFFFAOYSA-N
XLogP2.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 61291416
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 61292154
6-bromo-2-(4-ethylpiperidin-4-yl)-1H-benzimidazole
CID 55178535
3-[2-(1-aminocyclopentyl)-3H-benzimidazol-5-yl]-2-methylprop-2-enoic acid
CID 66931669
1-(3H-imidazo[4,5-c]pyridin-2-yl)cyclopropan-1-amine
CID 65464326
(2S)-2-(6-bromo-1H-benzimidazol-2-yl)-2-tert-butylpyrrolidine-1-carboxylic acid
CID 154392144
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentan-1-amine
CID 117355779
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]piperidin-4-amine
CID 59279365
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
6-bromo-N-(4-bromophenyl)-1H-benzimidazol-2-amine
CID 82563483
1-[(6-bromo-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 54920062

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine (CID 81161162) is 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine is NC1(c2nc3ccc(Br)cc3[nH]2)CCC1.
What is the InChIKey of 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine?
The InChIKey is QGCPDXDOGWYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-7-2-3-8-9(6-7)15-10(14-8)11(13)4-1-5-11/h2-3,6H,1,4-5,13H2,(H,14,15).
What are the key properties of 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine?
1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine has a molecular weight of 266.14 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-1H-benzimidazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 81161162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).