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

C12H12BrClN2O — CID 114283578

IUPAC(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cccc(Br)c2Cl)n1C
InChIInChI=1S/C12H12BrClN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(13)11(8)14/h3-6,12,17H,1-2H3
InChIKeyDOVXSENWPHAELF-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.23
Rot. Bonds2

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

(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol (PubChem CID 114283578) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
PubChem CID114283578
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
SMILESCc1ncc(C(O)c2cccc(Br)c2Cl)n1C
InChIInChI=1S/C12H12BrClN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(13)11(8)14/h3-6,12,17H,1-2H3
InChIKeyDOVXSENWPHAELF-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-3-fluorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283580
(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799091
(4-bromo-2-methylphenyl)-(2,3-dimethylimidazol-4-yl)methanol
CID 114283392
2-[(2,3-dimethylimidazol-4-yl)-hydroxymethyl]benzoic acid
CID 175228818
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(3-bromo-2-chlorophenyl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107516210
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
1-(3-bromo-2-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811518
(2,3-dimethylimidazol-4-yl)-(2-iodo-3-methylphenyl)methanamine
CID 114283568
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 (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol (CID 114283578) is (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol is Cc1ncc(C(O)c2cccc(Br)c2Cl)n1C.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
The InChIKey is DOVXSENWPHAELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-7-15-6-10(16(7)2)12(17)8-4-3-5-9(13)11(8)14/h3-6,12,17H,1-2H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol?
(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol has a molecular weight of 315.60 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol is sourced from PubChem (CID 114283578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).