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

C11H10Cl2N2O — CID 853400

IUPAC(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m1/s1
InChIKeyUKVLTPAGJIYSGN-LLVKDONJSA-N
MW257.12 g/mol
LogP2.92
Rot. Bonds3

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

(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (PubChem CID 853400) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
PubChem CID853400
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
SMILESO[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m1/s1
InChIKeyUKVLTPAGJIYSGN-LLVKDONJSA-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

Miconazole
CID 4189
Imazalil
CID 37175
Econazole
CID 3198
Econazole Nitrate
CID 68589
Miconazole Nitrate
CID 68553
Oxiconazole
CID 5353853
Isoconazole
CID 3760
Imazalil sulfate
CID 173636
(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(S)-miconazole
CID 969503
Isoconazole Nitrate
CID 159968
2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol
CID 2724686

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol (CID 853400) is (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
The InChIKey is UKVLTPAGJIYSGN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,7,11,16H,6H2/t11-/m1/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol?
(1S)-1-(2,4-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 (1S)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol is sourced from PubChem (CID 853400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).