1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol

C17H14Cl2N2O2 — CID 20525170

IUPAC1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-3-6-17(15(19)9-13)23-14-4-1-12(2-5-14)16(22)10-21-8-7-20-11-21/h1-9,11,16,22H,10H2
InChIKeyIFOATVFTTQMUAB-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.72
Rot. Bonds5

About 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol

1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol (PubChem CID 20525170) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
PubChem CID20525170
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
SMILESOC(Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-3-6-17(15(19)9-13)23-14-4-1-12(2-5-14)16(22)10-21-8-7-20-11-21/h1-9,11,16,22H,10H2
InChIKeyIFOATVFTTQMUAB-UHFFFAOYSA-N
XLogP4.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
O-(2,4-dichlorophenyl) [1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 54050491
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-(2,6-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610
CID 152744474
CID 152744474
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
1-(2-chlorophenyl)-2-imidazol-1-ylethanol
CID 12760607
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[5-(4-chlorophenoxy)-2-(2,4-dichlorophenyl)pentyl]imidazole
CID 3006879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol?
The IUPAC name of 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol (CID 20525170) is 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol.
What is the SMILES notation for 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol?
The canonical SMILES for 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol is OC(Cn1ccnc1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol?
The InChIKey is IFOATVFTTQMUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-3-6-17(15(19)9-13)23-14-4-1-12(2-5-14)16(22)10-21-8-7-20-11-21/h1-9,11,16,22H,10H2.
What are the key properties of 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol?
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol has a molecular weight of 349.22 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol is sourced from PubChem (CID 20525170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).