(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol

C11H12Cl2N2O — CID 86340265

IUPAC(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol
SMILESO[C@H](CN1C=CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,11,14,16H,6-7H2/t11-/m1/s1
InChIKeyDMDSLLRXQUHWDB-LLVKDONJSA-N
MW259.14 g/mol
LogP2.36
Rot. Bonds3

About (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol

(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol (PubChem CID 86340265) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol
PubChem CID86340265
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol
SMILESO[C@H](CN1C=CNC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,11,14,16H,6-7H2/t11-/m1/s1
InChIKeyDMDSLLRXQUHWDB-LLVKDONJSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
(3aS,6aR)-2-[2-(2,4-dichlorophenyl)-2-hydroxyethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 144818586
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
(1R)-1-(2,4-dichlorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]ethanol
CID 129373193
2-(benzotriazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 53377790
(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol
CID 51374227
(2,4-dichlorophenyl)-(3,5-dichlorophenyl)methanol
CID 63427541

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol?
The IUPAC name of (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol (CID 86340265) is (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol?
The canonical SMILES for (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol is O[C@H](CN1C=CNC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol?
The InChIKey is DMDSLLRXQUHWDB-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c12-8-1-2-9(10(13)5-8)11(16)6-15-4-3-14-7-15/h1-5,11,14,16H,6-7H2/t11-/m1/s1.
What are the key properties of (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol?
(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol has a molecular weight of 259.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol is sourced from PubChem (CID 86340265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).