(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol

C13H14BrClN2O2 — CID 102949040

IUPAC(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H14BrClN2O2/c1-8(18)10-4-3-9(14)5-11(10)19-7-13-16-6-12(15)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1
InChIKeyLIZSQBYVBSBNMC-QMMMGPOBSA-N
MW345.62 g/mol
LogP3.47
Rot. Bonds4

About (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol

(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol (PubChem CID 102949040) has the molecular formula C13H14BrClN2O2 and a molecular weight of 345.62 g/mol. Its IUPAC name is (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
PubChem CID102949040
Molecular FormulaC13H14BrClN2O2
Molecular Weight345.62 g/mol
Exact Mass343.99
IUPAC Name(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol
SMILESC[C@H](O)c1ccc(Br)cc1OCc1ncc(Cl)n1C
InChIInChI=1S/C13H14BrClN2O2/c1-8(18)10-4-3-9(14)5-11(10)19-7-13-16-6-12(15)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1
InChIKeyLIZSQBYVBSBNMC-QMMMGPOBSA-N
XLogP3.47
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylethanamine
CID 102947322
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanol
CID 78932255
1-[4-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanol
CID 102948495
1-[4-bromo-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanol
CID 102948392
(1R)-1-[4-bromo-2-[(4-bromo-2-chlorophenyl)methoxy]phenyl]ethanol
CID 102948801
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-fluorophenyl]ethanamine
CID 78936109
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
(1S)-1-[4-bromo-2-[(1-methyltriazol-4-yl)methoxy]phenyl]ethanol
CID 107043932
1-[4-bromo-2-(pyridin-4-ylmethoxy)phenyl]ethanol
CID 102948400
[3-bromo-4-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methanol
CID 63051976
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
1-[4-bromo-2-[(3-ethyl-1-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102948377

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol (CID 102949040) is (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol is C[C@H](O)c1ccc(Br)cc1OCc1ncc(Cl)n1C.
What is the InChIKey of (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
The InChIKey is LIZSQBYVBSBNMC-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14BrClN2O2/c1-8(18)10-4-3-9(14)5-11(10)19-7-13-16-6-12(15)17(13)2/h3-6,8,18H,7H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol?
(1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol has a molecular weight of 345.62 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-bromo-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]ethanol is sourced from PubChem (CID 102949040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).