(6-bromo-1-methylbenzimidazol-2-yl)methanol

C9H9BrN2O — CID 69185572

IUPAC(6-bromo-1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(CO)nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3
InChIKeyGUVVIXRQUZWJQY-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.83
Rot. Bonds1

About (6-bromo-1-methylbenzimidazol-2-yl)methanol

(6-bromo-1-methylbenzimidazol-2-yl)methanol (PubChem CID 69185572) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is (6-bromo-1-methylbenzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(6-bromo-1-methylbenzimidazol-2-yl)methanol
PubChem CID69185572
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name(6-bromo-1-methylbenzimidazol-2-yl)methanol
SMILESCn1c(CO)nc2ccc(Br)cc21
InChIInChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3
InChIKeyGUVVIXRQUZWJQY-UHFFFAOYSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-methylbenzimidazol-2-yl)methanol?
The IUPAC name of (6-bromo-1-methylbenzimidazol-2-yl)methanol (CID 69185572) is (6-bromo-1-methylbenzimidazol-2-yl)methanol.
What is the SMILES notation for (6-bromo-1-methylbenzimidazol-2-yl)methanol?
The canonical SMILES for (6-bromo-1-methylbenzimidazol-2-yl)methanol is Cn1c(CO)nc2ccc(Br)cc21.
What is the InChIKey of (6-bromo-1-methylbenzimidazol-2-yl)methanol?
The InChIKey is GUVVIXRQUZWJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-8-4-6(10)2-3-7(8)11-9(12)5-13/h2-4,13H,5H2,1H3.
What are the key properties of (6-bromo-1-methylbenzimidazol-2-yl)methanol?
(6-bromo-1-methylbenzimidazol-2-yl)methanol has a molecular weight of 241.09 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-methylbenzimidazol-2-yl)methanol is sourced from PubChem (CID 69185572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).