1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol

C15H17BrN2O2 — CID 102948213

IUPAC1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1cncn1C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10(19)14-5-2-11(16)6-15(14)20-8-13-7-17-9-18(13)12-3-4-12/h2,5-7,9-10,12,19H,3-4,8H2,1H3
InChIKeyCWKVMSUABYBYET-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol

1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol (PubChem CID 102948213) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
PubChem CID102948213
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
SMILESCC(O)c1ccc(Br)cc1OCc1cncn1C1CC1
InChIInChI=1S/C15H17BrN2O2/c1-10(19)14-5-2-11(16)6-15(14)20-8-13-7-17-9-18(13)12-3-4-12/h2,5-7,9-10,12,19H,3-4,8H2,1H3
InChIKeyCWKVMSUABYBYET-UHFFFAOYSA-N
XLogP3.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol 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

1-[4-bromo-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanol
CID 102948379
(1R)-1-[5-chloro-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66154464
(1R)-1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 82000083
(1S)-1-[4-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102949340
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
1-[2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]-N-ethylethanamine
CID 66152900
(1R)-1-[4-bromo-2-(cyclopropylmethoxymethoxy)phenyl]ethanol
CID 106929847
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanol
CID 66152313
1-cyclopropyl-5-[(2-fluoro-5-methylphenoxy)methyl]imidazole
CID 66148013

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol (CID 102948213) is 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol is CC(O)c1ccc(Br)cc1OCc1cncn1C1CC1.
What is the InChIKey of 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
The InChIKey is CWKVMSUABYBYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-10(19)14-5-2-11(16)6-15(14)20-8-13-7-17-9-18(13)12-3-4-12/h2,5-7,9-10,12,19H,3-4,8H2,1H3.
What are the key properties of 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol?
1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol has a molecular weight of 337.22 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(3-cyclopropylimidazol-4-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102948213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).