1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol

C12H12Cl2N2O2 — CID 2804749

IUPAC1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-1-2-12(11(14)5-9)18-7-10(17)6-16-4-3-15-8-16/h1-5,8,10,17H,6-7H2
InChIKeyRVWIEMBBXBWFII-UHFFFAOYSA-N
MW287.15 g/mol
LogP2.63
Rot. Bonds5

About 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol

1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol (PubChem CID 2804749) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol
PubChem CID2804749
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol
SMILESOC(COc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C12H12Cl2N2O2/c13-9-1-2-12(11(14)5-9)18-7-10(17)6-16-4-3-15-8-16/h1-5,8,10,17H,6-7H2
InChIKeyRVWIEMBBXBWFII-UHFFFAOYSA-N
XLogP2.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol (CID 2804749) is 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol is OC(COc1ccc(Cl)cc1Cl)Cn1ccnc1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol?
The InChIKey is RVWIEMBBXBWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c13-9-1-2-12(11(14)5-9)18-7-10(17)6-16-4-3-15-8-16/h1-5,8,10,17H,6-7H2.
What are the key properties of 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol?
1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol has a molecular weight of 287.15 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 2804749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).