2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol

C15H19BrN2O — CID 84605588

IUPAC2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol
SMILESCC(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1
InChIInChI=1S/C15H19BrN2O/c1-10(2)11-4-6-12(7-5-11)15-17-13(8-9-19)14(16)18(15)3/h4-7,10,19H,8-9H2,1-3H3
InChIKeyUAACFAHJNJDJIT-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.51
Rot. Bonds4

About 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol

2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol (PubChem CID 84605588) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol
PubChem CID84605588
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol
SMILESCC(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1
InChIInChI=1S/C15H19BrN2O/c1-10(2)11-4-6-12(7-5-11)15-17-13(8-9-19)14(16)18(15)3/h4-7,10,19H,8-9H2,1-3H3
InChIKeyUAACFAHJNJDJIT-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[4-(dimethylamino)phenyl]-1-methylimidazol-4-yl]ethanol
CID 84605911
2-[5-bromo-2-(4-methoxy-3-methylphenyl)-1-methylimidazol-4-yl]ethanol
CID 84606373
2-[5-bromo-3-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]acetic acid
CID 84611188
[5-bromo-2-(3-chloro-4-methoxyphenyl)-1-methylimidazol-4-yl]methanol
CID 84609235
3-[5-bromo-1-methyl-2-(3-methylphenyl)imidazol-4-yl]propanoic acid
CID 84605389
[4-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115397117
2-[4-bromo-5-[[2-(2-hydroxyethoxy)phenoxy]methyl]-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143098515
[5-(4-propan-2-ylphenyl)-1,3-oxazol-4-yl]methanol
CID 79145888
2-[4-bromo-7-methoxy-5-[(4-methylpyrazol-1-yl)methyl]-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143078966
[1-methyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methanol
CID 82049017
[5-methyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 50984737
2-[4-ethylsulfanyl-7-methoxy-2-(4-propan-2-ylphenyl)benzimidazol-1-yl]ethanol
CID 143079019

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol (CID 84605588) is 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol is CC(C)c1ccc(-c2nc(CCO)c(Br)n2C)cc1.
What is the InChIKey of 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol?
The InChIKey is UAACFAHJNJDJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10(2)11-4-6-12(7-5-11)15-17-13(8-9-19)14(16)18(15)3/h4-7,10,19H,8-9H2,1-3H3.
What are the key properties of 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol?
2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol has a molecular weight of 323.23 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 84605588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).