(5-bromo-3-methylimidazol-4-yl)methanol

C5H7BrN2O — CID 15767820

IUPAC(5-bromo-3-methylimidazol-4-yl)methanol
SMILESCn1cnc(Br)c1CO
InChIInChI=1S/C5H7BrN2O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2H2,1H3
InChIKeyJEUAGCKNJFHLKC-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.67
Rot. Bonds1

About (5-bromo-3-methylimidazol-4-yl)methanol

(5-bromo-3-methylimidazol-4-yl)methanol (PubChem CID 15767820) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (5-bromo-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methylimidazol-4-yl)methanol
PubChem CID15767820
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(5-bromo-3-methylimidazol-4-yl)methanol
SMILESCn1cnc(Br)c1CO
InChIInChI=1S/C5H7BrN2O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2H2,1H3
InChIKeyJEUAGCKNJFHLKC-UHFFFAOYSA-N
XLogP0.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.03
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methylimidazol-4-yl)methanol?
The IUPAC name of (5-bromo-3-methylimidazol-4-yl)methanol (CID 15767820) is (5-bromo-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (5-bromo-3-methylimidazol-4-yl)methanol is Cn1cnc(Br)c1CO.
What is the InChIKey of (5-bromo-3-methylimidazol-4-yl)methanol?
The InChIKey is JEUAGCKNJFHLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-3-7-5(6)4(8)2-9/h3,9H,2H2,1H3.
What are the key properties of (5-bromo-3-methylimidazol-4-yl)methanol?
(5-bromo-3-methylimidazol-4-yl)methanol has a molecular weight of 191.03 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 15767820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).