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

C5H7BrN2O — CID 52987715

IUPAC(2-bromo-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Br
InChIInChI=1S/C5H7BrN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3
InChIKeyPZILGIABAGMOHI-UHFFFAOYSA-N
MW191.03 g/mol
LogP0.67
Rot. Bonds1

About (2-bromo-3-methylimidazol-4-yl)methanol

(2-bromo-3-methylimidazol-4-yl)methanol (PubChem CID 52987715) has the molecular formula C5H7BrN2O and a molecular weight of 191.03 g/mol. Its IUPAC name is (2-bromo-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylimidazol-4-yl)methanol
PubChem CID52987715
Molecular FormulaC5H7BrN2O
Molecular Weight191.03 g/mol
Exact Mass189.97
IUPAC Name(2-bromo-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Br
InChIInChI=1S/C5H7BrN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3
InChIKeyPZILGIABAGMOHI-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

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
1-Methyl-2-nitro-1H-imidazole-5-methanol
CID 70292
(4-bromo-1-methyl-1H-imidazol-5-yl)methanol
CID 15767820
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
1H-imidazole-5-methanol, 1-methyl-2-(methylthio)-
CID 638694
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
(1-Isobutyl-1H-imidazol-5-yl)methanol
CID 11686942
(1,4-dimethyl-1H-imidazol-2-yl)methanol
CID 12923402

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylimidazol-4-yl)methanol?
The IUPAC name of (2-bromo-3-methylimidazol-4-yl)methanol (CID 52987715) is (2-bromo-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2-bromo-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2-bromo-3-methylimidazol-4-yl)methanol is Cn1c(CO)cnc1Br.
What is the InChIKey of (2-bromo-3-methylimidazol-4-yl)methanol?
The InChIKey is PZILGIABAGMOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3.
What are the key properties of (2-bromo-3-methylimidazol-4-yl)methanol?
(2-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 (2-bromo-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 52987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).