1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol

C11H10Cl2N2O — CID 70530603

IUPAC1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
SMILESOC(Cl)(Cc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C11H10Cl2N2O/c12-10-3-1-9(2-4-10)7-11(13,16)15-6-5-14-8-15/h1-6,8,16H,7H2
InChIKeyHWRIRWBFKBDJIG-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.62
Rot. Bonds3

About 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol

1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol (PubChem CID 70530603) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
PubChem CID70530603
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol
SMILESOC(Cl)(Cc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C11H10Cl2N2O/c12-10-3-1-9(2-4-10)7-11(13,16)15-6-5-14-8-15/h1-6,8,16H,7H2
InChIKeyHWRIRWBFKBDJIG-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methoxy]ethyl]imidazole
CID 69082730
1-[1-chloro-2-(4-chlorophenyl)-1-[(4-chlorophenyl)methylsulfanylmethoxy]ethyl]imidazole;nitric acid
CID 70604132
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[1-chloro-2-(4-chlorophenyl)-1-(phenoxymethoxy)ethyl]imidazole;nitric acid
CID 70604268
3-[(4-chlorophenyl)methyl]-1-imidazol-1-yl-4-methylpentan-3-ol
CID 10613637
1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
CID 22379743
1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745175
1-(4-chlorophenyl)-3-imidazol-1-yl-2-(4-methoxyphenyl)propan-2-ol;nitric acid
CID 70550149
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-imidazol-1-ylpropan-2-ol
CID 57110355
5-(4-chlorophenyl)-4-imidazol-1-yl-2,2-dimethyl-3-oxopentanenitrile
CID 13390740
4-(4-chlorophenyl)-3-imidazol-1-ylbutan-2-one;hydrochloride
CID 67157646

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol?
The IUPAC name of 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol (CID 70530603) is 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol.
What is the SMILES notation for 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol?
The canonical SMILES for 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol is OC(Cl)(Cc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol?
The InChIKey is HWRIRWBFKBDJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-10-3-1-9(2-4-10)7-11(13,16)15-6-5-14-8-15/h1-6,8,16H,7H2.
What are the key properties of 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol?
1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol has a molecular weight of 257.12 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-chlorophenyl)-1-imidazol-1-ylethanol is sourced from PubChem (CID 70530603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).