1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol

C11H10Cl2N2O — CID 20525178

IUPAC1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKeyXALAHDDITRYXTH-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.92
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol

1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 20525178) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol
PubChem CID20525178
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2
InChIKeyXALAHDDITRYXTH-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imazalil
CID 37175
Econazole
CID 3198
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
Econazole, (R)-
CID 6604378
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(S)-econazole
CID 12773795
1-(4-chlorophenyl)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethan-1-ol
CID 2728518
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(R)-Enilconazole
CID 6604394
4-(4-chlorophenyl)-1-(1H-imidazol-1-yl)-2-butanol hydrochloride
CID 20282236
1-Cyclohexyl-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 44523522

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol (CID 20525178) is 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol is OC(Cn1ccnc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is XALAHDDITRYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-9-2-1-8(5-10(9)13)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol?
1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol has a molecular weight of 257.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 20525178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).