2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol

C14H15BrN2O3 — CID 84611923

IUPAC2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol
SMILESCc1cc2c(cc1-c1c(Br)nc(CCO)n1C)OCO2
InChIInChI=1S/C14H15BrN2O3/c1-8-5-10-11(20-7-19-10)6-9(8)13-14(15)16-12(3-4-18)17(13)2/h5-6,18H,3-4,7H2,1-2H3
InChIKeyRNNGJEYQZLYZDJ-UHFFFAOYSA-N
MW339.19 g/mol
LogP2.42
Rot. Bonds3

About 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol

2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol (PubChem CID 84611923) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol
PubChem CID84611923
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol
SMILESCc1cc2c(cc1-c1c(Br)nc(CCO)n1C)OCO2
InChIInChI=1S/C14H15BrN2O3/c1-8-5-10-11(20-7-19-10)6-9(8)13-14(15)16-12(3-4-18)17(13)2/h5-6,18H,3-4,7H2,1-2H3
InChIKeyRNNGJEYQZLYZDJ-UHFFFAOYSA-N
XLogP2.42
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole
CID 84605513
2-[4-bromo-5-(5-chloro-2-fluorophenyl)-1-methylimidazol-2-yl]ethanol
CID 84609648
2-[4-bromo-5-(2,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84605029
2-[4-bromo-1-methyl-5-(2,3,5,6-tetramethylphenyl)imidazol-2-yl]ethanamine
CID 84610828
5-bromo-1-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-amine
CID 84605817
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000
2-[4-(1,3-benzodioxol-5-yl)-5-bromo-1-methylimidazol-2-yl]ethanamine
CID 84605815
[4-bromo-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylimidazol-2-yl]methanamine
CID 84611469
[2-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-4-yl]methanamine
CID 116857676
2-(6-methyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethanol
CID 82149388
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
2-chloro-4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidine
CID 116897393

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol?
The IUPAC name of 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol (CID 84611923) is 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol?
The canonical SMILES for 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol is Cc1cc2c(cc1-c1c(Br)nc(CCO)n1C)OCO2.
What is the InChIKey of 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol?
The InChIKey is RNNGJEYQZLYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8-5-10-11(20-7-19-10)6-9(8)13-14(15)16-12(3-4-18)17(13)2/h5-6,18H,3-4,7H2,1-2H3.
What are the key properties of 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol?
2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol has a molecular weight of 339.19 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol is sourced from PubChem (CID 84611923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).