6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine

C12H14BrN3 — CID 103163852

IUPAC6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(CC3CCC3)nc12
InChIInChI=1S/C12H14BrN3/c13-8-5-9(14)12-10(6-8)15-11(16-12)4-7-2-1-3-7/h5-7H,1-4,14H2,(H,15,16)
InChIKeyADHSCQQKENCPKY-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.25
Rot. Bonds2

About 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine

6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine (PubChem CID 103163852) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine
PubChem CID103163852
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine
SMILESNc1cc(Br)cc2[nH]c(CC3CCC3)nc12
InChIInChI=1S/C12H14BrN3/c13-8-5-9(14)12-10(6-8)15-11(16-12)4-7-2-1-3-7/h5-7H,1-4,14H2,(H,15,16)
InChIKeyADHSCQQKENCPKY-UHFFFAOYSA-N
XLogP3.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(cyclobutylmethyl)-1H-benzimidazole-4-carboxylic acid
CID 114263397
2-(cyclopentylmethyl)-1H-benzimidazol-4-amine
CID 63691018
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
6-bromo-2-(2,2-dimethylcyclohexyl)-1H-benzimidazol-4-amine
CID 107178979
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
4-chloro-2-(cycloheptylmethyl)-1H-benzimidazole
CID 114458303
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
6-bromo-2-(3-methyloxan-4-yl)-1H-benzimidazol-4-amine
CID 114241341
2-(cyclohexylmethyl)-6-cyclopropyloxy-1H-benzimidazole
CID 138664980
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
4,6-dibromo-2-(chloromethyl)-1H-benzimidazole
CID 11174733

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine (CID 103163852) is 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine is Nc1cc(Br)cc2[nH]c(CC3CCC3)nc12.
What is the InChIKey of 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine?
The InChIKey is ADHSCQQKENCPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-8-5-9(14)12-10(6-8)15-11(16-12)4-7-2-1-3-7/h5-7H,1-4,14H2,(H,15,16).
What are the key properties of 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine?
6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine has a molecular weight of 280.17 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(cyclobutylmethyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 103163852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).