(5-bromo-1-methylimidazol-2-yl)methanol

C5H7BrN2O — CID 23445171

IUPAC(5-bromo-1-methylimidazol-2-yl)methanol
SMILESCn1c(Br)cnc1CO
InChIInChI=1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3
InChIKeyKXNDYMLJDLCBMV-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.67
Rot. Bonds1

About (5-bromo-1-methylimidazol-2-yl)methanol

(5-bromo-1-methylimidazol-2-yl)methanol (PubChem CID 23445171) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (5-bromo-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-bromo-1-methylimidazol-2-yl)methanol
PubChem CID23445171
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(5-bromo-1-methylimidazol-2-yl)methanol
SMILESCn1c(Br)cnc1CO
InChIInChI=1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3
InChIKeyKXNDYMLJDLCBMV-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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Related Compounds

2-Methyl-1H-imidazole-1-ethanol
CID 74169
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-(2-Hydroxyethyl)-2-methyl-5-aminoimidazole
CID 134701
[1-(difluoromethyl)-1H-imidazol-2-yl]methanol
CID 7063912
1-(2-Hydroxyethyl)-3-methylimidazolium chloride
CID 11499271
(5-chloro-1-methyl-1H-imidazol-2-yl)methanol
CID 14638329
1-(2-methyl-1H-imidazol-1-yl)propan-2-ol
CID 11542800
4-bromo-1-methyl-1H-imidazole-2-carbaldehyde
CID 12742279
1-(2-Hydroxyethyl)-3-methylimidazolium dicyanamide
CID 71310541
4-Bromo-1,2-dimethyl-1H-imidazole
CID 7204875

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-methylimidazol-2-yl)methanol?
The IUPAC name of (5-bromo-1-methylimidazol-2-yl)methanol (CID 23445171) is (5-bromo-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (5-bromo-1-methylimidazol-2-yl)methanol?
The canonical SMILES for (5-bromo-1-methylimidazol-2-yl)methanol is Cn1c(Br)cnc1CO.
What is the InChIKey of (5-bromo-1-methylimidazol-2-yl)methanol?
The InChIKey is KXNDYMLJDLCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-4(6)2-7-5(8)3-9/h2,9H,3H2,1H3.
What are the key properties of (5-bromo-1-methylimidazol-2-yl)methanol?
(5-bromo-1-methylimidazol-2-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-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 23445171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).