2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol

C12H12Cl2N2O — CID 66116714

IUPAC2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-7-15-6-11(16)12(17)4-8-2-3-9(13)5-10(8)14/h2-3,5-7,12,17H,4H2,1H3
InChIKeyLUFNKCCEPMZJOC-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.00
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 66116714) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID66116714
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O/c1-16-7-15-6-11(16)12(17)4-8-2-3-9(13)5-10(8)14/h2-3,5-7,12,17H,4H2,1H3
InChIKeyLUFNKCCEPMZJOC-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134128
1-(3-cyclopropylimidazol-4-yl)-2-(2,4-dichlorophenyl)ethanol
CID 66141868
2-(2,5-dimethylphenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117772
1-(3-methylimidazol-4-yl)-2-phenylethanol
CID 66118824
1-(3-methylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66117765
2-(4-iodophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66117760
2-(2,4-dichlorophenyl)-1-(1-methylpyrrol-3-yl)ethanol
CID 10612074
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(2,4-dichlorophenyl)butan-2-ol;methanol
CID 144705825
1-(2,4-dichlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70382628
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
N-[2-(2-chloro-4-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 106866577

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol (CID 66116714) is 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is LUFNKCCEPMZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O/c1-16-7-15-6-11(16)12(17)4-8-2-3-9(13)5-10(8)14/h2-3,5-7,12,17H,4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 271.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 66116714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).