(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol

C12H12BrFN2O — CID 114283580

IUPAC(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cccc(F)c2Br)n1C
InChIInChI=1S/C12H12BrFN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(14)11(8)13/h3-6,12,17H,1-2H3
InChIKeyNJBHAAFJCNVDMF-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.71
Rot. Bonds2

About (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol

(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 114283580) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
PubChem CID114283580
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cccc(F)c2Br)n1C
InChIInChI=1S/C12H12BrFN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(14)11(8)13/h3-6,12,17H,1-2H3
InChIKeyNJBHAAFJCNVDMF-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283392
2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
(2-bromo-3-fluorophenyl)-pyrimidin-5-ylmethanol
CID 115781566
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
1-(2-bromo-3-fluorophenyl)-2,2-dimethylpropan-1-ol
CID 115796476
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanol
CID 115814442
(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
CID 114283568
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 115829386
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
CID 82412586
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol (CID 114283580) is (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol is Cc1ncc(C(O)c2cccc(F)c2Br)n1C.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is NJBHAAFJCNVDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(14)11(8)13/h3-6,12,17H,1-2H3.
What are the key properties of (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 299.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 114283580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).