2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

C13H15Cl2N3O — CID 90644778

IUPAC2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCc1nc(N)n(CC(O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C13H15Cl2N3O/c1-7-8(2)18(13(16)17-7)6-12(19)10-4-3-9(14)5-11(10)15/h3-5,12,19H,6H2,1-2H3,(H2,16,17)
InChIKeyGVBRVXLPACXELO-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol

2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (PubChem CID 90644778) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
PubChem CID90644778
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
SMILESCc1nc(N)n(CC(O)c2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C13H15Cl2N3O/c1-7-8(2)18(13(16)17-7)6-12(19)10-4-3-9(14)5-11(10)15/h3-5,12,19H,6H2,1-2H3,(H2,16,17)
InChIKeyGVBRVXLPACXELO-UHFFFAOYSA-N
XLogP3.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
alpha-(4-Chlorophenyl)-1H-imidazole-1-ethanol
CID 91130
2-(2-Amino-4-cyclopropylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644772
2-(2-Aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644774
2-(2-Amino-4-methylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644777
2-(2-Aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90681918
(4-chlorophenyl)(4,5-dichloro-1-methyl-1H-imidazol-2-yl)methanol
CID 658852
Econazole impurity 17
CID 12760607
1-(2,6-Dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol, (+)-
CID 853400
1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanol, (-)-
CID 853401
alpha-(4-Chlorophenyl)-beta-dimethylimidazole-1-ethanol
CID 168655

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol (CID 90644778) is 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is Cc1nc(N)n(CC(O)c2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
The InChIKey is GVBRVXLPACXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-7-8(2)18(13(16)17-7)6-12(19)10-4-3-9(14)5-11(10)15/h3-5,12,19H,6H2,1-2H3,(H2,16,17).
What are the key properties of 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol?
2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol has a molecular weight of 300.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 90644778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).