(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol

C11H10BrFN2O — CID 107978535

IUPAC(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C11H10BrFN2O/c1-15-5-10(14-6-15)11(16)8-4-7(12)2-3-9(8)13/h2-6,11,16H,1H3
InChIKeyAMFVNZQCEIKHLK-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.40
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol

(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 107978535) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
PubChem CID107978535
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol
SMILESCn1cnc(C(O)c2cc(Br)ccc2F)c1
InChIInChI=1S/C11H10BrFN2O/c1-15-5-10(14-6-15)11(16)8-4-7(12)2-3-9(8)13/h2-6,11,16H,1H3
InChIKeyAMFVNZQCEIKHLK-UHFFFAOYSA-N
XLogP2.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanol
CID 107978391
(5-bromo-2-fluorophenyl)-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83091258
(5-bromo-2-fluorophenyl)-quinoxalin-2-ylmethanol
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(5-bromo-2-fluorophenyl)-(thiadiazol-4-yl)methanol
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(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
(5-bromo-2-fluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985386
(2,3-dimethylphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978292
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
(5-bromo-2-fluorophenyl)-(2-methylphenyl)methanol
CID 63894128
(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 107978350
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
(5-bromo-2-fluorophenyl)-(3-ethyltriazol-4-yl)methanol
CID 114212999

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol (CID 107978535) is (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol is Cn1cnc(C(O)c2cc(Br)ccc2F)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is AMFVNZQCEIKHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-15-5-10(14-6-15)11(16)8-4-7(12)2-3-9(8)13/h2-6,11,16H,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol?
(5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 285.12 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 107978535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).