2-bromo-1-cyclobutyl-5-methoxybenzimidazole

C12H13BrN2O — CID 84812045

IUPAC2-bromo-1-cyclobutyl-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)nc(Br)n2C1CCC1
InChIInChI=1S/C12H13BrN2O/c1-16-9-5-6-11-10(7-9)14-12(13)15(11)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyPIIZPABUASIEGL-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.53
Rot. Bonds2

About 2-bromo-1-cyclobutyl-5-methoxybenzimidazole

2-bromo-1-cyclobutyl-5-methoxybenzimidazole (PubChem CID 84812045) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 2-bromo-1-cyclobutyl-5-methoxybenzimidazole.

Molecular Properties

Compound Name2-bromo-1-cyclobutyl-5-methoxybenzimidazole
PubChem CID84812045
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name2-bromo-1-cyclobutyl-5-methoxybenzimidazole
SMILESCOc1ccc2c(c1)nc(Br)n2C1CCC1
InChIInChI=1S/C12H13BrN2O/c1-16-9-5-6-11-10(7-9)14-12(13)15(11)8-3-2-4-8/h5-8H,2-4H2,1H3
InChIKeyPIIZPABUASIEGL-UHFFFAOYSA-N
XLogP3.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-cyclopropyl-5-methoxybenzimidazole-2-carboxylate
CID 112617626
cis-(1S,3R)-3-(1-cyclopropyl-5-methoxybenzimidazol-2-yl)cyclopentan-1-amine
CID 106322605
1-(2-bromo-1-cyclopropylbenzimidazol-5-yl)ethanone
CID 83845307
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
2-bromo-1-cyclopropyl-6-fluorobenzimidazole
CID 83844057
2,5,6-tribromo-1-[(3S)-1-methoxypyrrolidin-3-yl]benzimidazole
CID 90248123
4-(1-cyclobutyl-5-hydroxybenzimidazol-2-yl)-6-methoxy-3-methylbenzene-1,2-diol
CID 162530950
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
3-bromo-1-cyclopropyl-5-methoxyindole
CID 115049436
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 3389789
4-bromo-1-cyclobutyl-3,5-bis(4-methoxyphenyl)pyrazole
CID 22725477

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclobutyl-5-methoxybenzimidazole?
The IUPAC name of 2-bromo-1-cyclobutyl-5-methoxybenzimidazole (CID 84812045) is 2-bromo-1-cyclobutyl-5-methoxybenzimidazole.
What is the SMILES notation for 2-bromo-1-cyclobutyl-5-methoxybenzimidazole?
The canonical SMILES for 2-bromo-1-cyclobutyl-5-methoxybenzimidazole is COc1ccc2c(c1)nc(Br)n2C1CCC1.
What is the InChIKey of 2-bromo-1-cyclobutyl-5-methoxybenzimidazole?
The InChIKey is PIIZPABUASIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-16-9-5-6-11-10(7-9)14-12(13)15(11)8-3-2-4-8/h5-8H,2-4H2,1H3.
What are the key properties of 2-bromo-1-cyclobutyl-5-methoxybenzimidazole?
2-bromo-1-cyclobutyl-5-methoxybenzimidazole has a molecular weight of 281.15 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclobutyl-5-methoxybenzimidazole is sourced from PubChem (CID 84812045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).