(4-bromo-1H-benzimidazol-2-yl)methanol

C8H7BrN2O — CID 71129150

IUPAC(4-bromo-1H-benzimidazol-2-yl)methanol
SMILESOCc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChIKeyMKWHLNKGLAEXPR-UHFFFAOYSA-N
MW227.06 g/mol
LogP1.82
Rot. Bonds1

About (4-bromo-1H-benzimidazol-2-yl)methanol

(4-bromo-1H-benzimidazol-2-yl)methanol (PubChem CID 71129150) has the molecular formula C8H7BrN2O and a molecular weight of 227.06 g/mol. Its IUPAC name is (4-bromo-1H-benzimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1H-benzimidazol-2-yl)methanol
PubChem CID71129150
Molecular FormulaC8H7BrN2O
Molecular Weight227.06 g/mol
Exact Mass225.97
IUPAC Name(4-bromo-1H-benzimidazol-2-yl)methanol
SMILESOCc1nc2c(Br)cccc2[nH]1
InChIInChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChIKeyMKWHLNKGLAEXPR-UHFFFAOYSA-N
XLogP1.82
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.06
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-benzimidazol-2-yl)methanol?
The IUPAC name of (4-bromo-1H-benzimidazol-2-yl)methanol (CID 71129150) is (4-bromo-1H-benzimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-1H-benzimidazol-2-yl)methanol?
The canonical SMILES for (4-bromo-1H-benzimidazol-2-yl)methanol is OCc1nc2c(Br)cccc2[nH]1.
What is the InChIKey of (4-bromo-1H-benzimidazol-2-yl)methanol?
The InChIKey is MKWHLNKGLAEXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3,12H,4H2,(H,10,11).
What are the key properties of (4-bromo-1H-benzimidazol-2-yl)methanol?
(4-bromo-1H-benzimidazol-2-yl)methanol has a molecular weight of 227.06 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-benzimidazol-2-yl)methanol is sourced from PubChem (CID 71129150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).