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

C13H15BrN2O — CID 114283392

IUPAC(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1cc(Br)ccc1C(O)c1cnc(C)n1C
InChIInChI=1S/C13H15BrN2O/c1-8-6-10(14)4-5-11(8)13(17)12-7-15-9(2)16(12)3/h4-7,13,17H,1-3H3
InChIKeyQKBYWGVNNZAVHQ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.88
Rot. Bonds2

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

(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 114283392) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
PubChem CID114283392
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1cc(Br)ccc1C(O)c1cnc(C)n1C
InChIInChI=1S/C13H15BrN2O/c1-8-6-10(14)4-5-11(8)13(17)12-7-15-9(2)16(12)3/h4-7,13,17H,1-3H3
InChIKeyQKBYWGVNNZAVHQ-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283578
(4-bromo-2-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 61101101
(4-bromo-2-methylphenyl)-(1-ethylimidazol-2-yl)methanol
CID 61316871
1-(4-bromophenyl)-1-(2,3-dimethylimidazol-4-yl)-N-methylmethanamine
CID 114283396
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 115820394
2-(2,3-dimethylimidazol-4-yl)-2-hydroxyacetic acid
CID 82412586
(2,4-dibromophenyl)-(2,4-dimethylphenyl)methanol
CID 107947470
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(2,4-dibromophenyl)-(2,4,5-trimethylphenyl)methanol
CID 107947548
(2,4-dibromophenyl)-(3-propyltriazol-4-yl)methanol
CID 114019485

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol (CID 114283392) is (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol is Cc1cc(Br)ccc1C(O)c1cnc(C)n1C.
What is the InChIKey of (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is QKBYWGVNNZAVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-6-10(14)4-5-11(8)13(17)12-7-15-9(2)16(12)3/h4-7,13,17H,1-3H3.
What are the key properties of (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol?
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 295.18 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 114283392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).