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

C13H15ClN2O — CID 62911682

IUPAC1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
SMILESCc1ncn(-c2ccc(C(C)O)cc2Cl)c1C
InChIInChI=1S/C13H15ClN2O/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
InChIKeyXBZOXVHSKPXUQS-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.20
Rot. Bonds2

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

1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol (PubChem CID 62911682) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
PubChem CID62911682
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol
SMILESCc1ncn(-c2ccc(C(C)O)cc2Cl)c1C
InChIInChI=1S/C13H15ClN2O/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
InChIKeyXBZOXVHSKPXUQS-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol (CID 62911682) is 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol is Cc1ncn(-c2ccc(C(C)O)cc2Cl)c1C.
What is the InChIKey of 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
The InChIKey is XBZOXVHSKPXUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/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.
What are the key properties of 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol?
1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol has a molecular weight of 250.73 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(4,5-dimethylimidazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 62911682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).