(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol

C13H15BrN2O — CID 61316871

IUPAC(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(Br)cc1C
InChIInChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)12(17)11-5-4-10(14)8-9(11)2/h4-8,12,17H,3H2,1-2H3
InChIKeyHOTHXLYQGVCSOH-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.06
Rot. Bonds3

About (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol

(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol (PubChem CID 61316871) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
PubChem CID61316871
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(Br)cc1C
InChIInChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)12(17)11-5-4-10(14)8-9(11)2/h4-8,12,17H,3H2,1-2H3
InChIKeyHOTHXLYQGVCSOH-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 65311695
(5-bromo-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 62960127
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
N-[(4-bromo-2-methylphenyl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 61318558
(1-ethylimidazol-2-yl)-(2,3,4-trifluorophenyl)methanol
CID 79755972
1-(2,4-dibromophenyl)-1-(1-ethylimidazol-2-yl)-N-methylmethanamine
CID 107945885
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
(4-bromo-3,5-dimethylphenyl)-(1-propylimidazol-2-yl)methanol
CID 114329829
N-[(2,4-dibromophenyl)-(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 107945887
(2-bromo-5-methylphenyl)-(1-propylimidazol-2-yl)methanol
CID 81116918
(3,5-dimethyl-2-pyridinyl)-(1-ethylimidazol-2-yl)methanol
CID 113365556
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283392

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol (CID 61316871) is (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)c1ccc(Br)cc1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol?
The InChIKey is HOTHXLYQGVCSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-16-7-6-15-13(16)12(17)11-5-4-10(14)8-9(11)2/h4-8,12,17H,3H2,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol?
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol has a molecular weight of 295.18 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 61316871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).