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

C13H14Cl2N2O — CID 66134128

IUPAC2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-17-8-16-7-12(17)13(18)5-9-3-4-10(14)6-11(9)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyBZQPSVHGGKEYRL-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.49
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134128) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134128
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-17-8-16-7-12(17)13(18)5-9-3-4-10(14)6-11(9)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyBZQPSVHGGKEYRL-UHFFFAOYSA-N
XLogP3.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
2-(4-chloro-3-fluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 114012562
1-(3-cyclopropylimidazol-4-yl)-2-(2,4-dichlorophenyl)ethanol
CID 66141868
2-(3,4-difluorophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 82919889
2-(2,4-dichlorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63977323
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129
1-(3-ethylimidazol-4-yl)-2-pyridin-3-ylethanol
CID 104735761
(5-chloro-2-methoxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135362
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
(2-chlorophenyl)-(3-ethylimidazol-4-yl)methanol
CID 66135580

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol (CID 66134128) is 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is BZQPSVHGGKEYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-17-8-16-7-12(17)13(18)5-9-3-4-10(14)6-11(9)15/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 285.17 g/mol, XLogP of 3.49, 4 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-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).