(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol

C11H11Cl2N2O+ — CID 51374227

IUPAC(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol
SMILESO[C@@H](C[n+]1cc[nH]c1)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/p+1/t11-/m0/s1
InChIKeyUKVLTPAGJIYSGN-NSHDSACASA-O
MW258.13 g/mol
LogP2.34
Rot. Bonds3

About (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol

(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol (PubChem CID 51374227) has the molecular formula C11H11Cl2N2O+ and a molecular weight of 258.13 g/mol. Its IUPAC name is (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol
PubChem CID51374227
Molecular FormulaC11H11Cl2N2O+
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol
SMILESO[C@@H](C[n+]1cc[nH]c1)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/p+1/t11-/m0/s1
InChIKeyUKVLTPAGJIYSGN-NSHDSACASA-O
XLogP2.34
TPSA39.90 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
3-(2,4-dichlorophenyl)-3-hydroxypropanal
CID 114795177
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
(2R)-2-(2,4-dichlorophenyl)-2-iodoethanol
CID 70228601
(1S)-1-(2,4-dichlorophenyl)-2-(1,2-dihydroimidazol-3-yl)ethanol
CID 86340265
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
1-(2,4-dichlorophenyl)-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 111114881

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol?
The IUPAC name of (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol (CID 51374227) is (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol?
The canonical SMILES for (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol is O[C@@H](C[n+]1cc[nH]c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol?
The InChIKey is UKVLTPAGJIYSGN-NSHDSACASA-O. 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/p+1/t11-/m0/s1.
What are the key properties of (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol?
(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol has a molecular weight of 258.13 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-3-ium-3-yl)ethanol is sourced from PubChem (CID 51374227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).