1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol

C13H15BrN2O — CID 115820394

IUPAC1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1nccn1C
InChIInChI=1S/C13H15BrN2O/c1-9-7-10(14)3-4-11(9)12(17)8-13-15-5-6-16(13)2/h3-7,12,17H,8H2,1-2H3
InChIKeyYECLSXRKOGYTOO-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol

1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 115820394) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID115820394
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCc1cc(Br)ccc1C(O)Cc1nccn1C
InChIInChI=1S/C13H15BrN2O/c1-9-7-10(14)3-4-11(9)12(17)8-13-15-5-6-16(13)2/h3-7,12,17H,8H2,1-2H3
InChIKeyYECLSXRKOGYTOO-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105011669
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331
1-(2,4-dichlorophenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 56692684
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322
1-(2-bromo-4,5-dimethoxyphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79743952
1-(1,5-dimethylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744159
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 79752934
[1-(4-bromo-2-methylphenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323298
1-(3-methylfuran-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 104800764
1-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744422
1-(4-bromo-2-methoxyphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115821013

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol (CID 115820394) is 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol is Cc1cc(Br)ccc1C(O)Cc1nccn1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is YECLSXRKOGYTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-7-10(14)3-4-11(9)12(17)8-13-15-5-6-16(13)2/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 295.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 115820394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).