(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol

C13H15BrN2O — CID 63372231

IUPAC(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
SMILESCc1ncn(-c2ccc([C@@H](C)O)cc2Br)c1C
InChIInChI=1S/C13H15BrN2O/c1-8-9(2)16(7-15-8)13-5-4-11(10(3)17)6-12(13)14/h4-7,10,17H,1-3H3/t10-/m1/s1
InChIKeyDYJZWDVHAFUUTC-SNVBAGLBSA-N
MW295.18 g/mol
LogP3.30
Rot. Bonds2

About (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol

(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol (PubChem CID 63372231) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
PubChem CID63372231
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
SMILESCc1ncn(-c2ccc([C@@H](C)O)cc2Br)c1C
InChIInChI=1S/C13H15BrN2O/c1-8-9(2)16(7-15-8)13-5-4-11(10(3)17)6-12(13)14/h4-7,10,17H,1-3H3/t10-/m1/s1
InChIKeyDYJZWDVHAFUUTC-SNVBAGLBSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol (CID 63372231) is (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol is Cc1ncn(-c2ccc([C@@H](C)O)cc2Br)c1C.
What is the InChIKey of (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The InChIKey is DYJZWDVHAFUUTC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-8-9(2)16(7-15-8)13-5-4-11(10(3)17)6-12(13)14/h4-7,10,17H,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
(1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol has a molecular weight of 295.18 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 63372231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).