3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol

C12H10Cl2N2O — CID 54440980

IUPAC3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol
SMILESOCC(=Cc1ccc(Cl)cc1Cl)c1ncc[nH]1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-8(11(14)6-10)5-9(7-17)12-15-3-4-16-12/h1-6,17H,7H2,(H,15,16)
InChIKeyWOBIUDHTPAOYRH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.25
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol

3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol (PubChem CID 54440980) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol
PubChem CID54440980
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol
SMILESOCC(=Cc1ccc(Cl)cc1Cl)c1ncc[nH]1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-8(11(14)6-10)5-9(7-17)12-15-3-4-16-12/h1-6,17H,7H2,(H,15,16)
InChIKeyWOBIUDHTPAOYRH-UHFFFAOYSA-N
XLogP3.25
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol (CID 54440980) is 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol is OCC(=Cc1ccc(Cl)cc1Cl)c1ncc[nH]1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol?
The InChIKey is WOBIUDHTPAOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-2-1-8(11(14)6-10)5-9(7-17)12-15-3-4-16-12/h1-6,17H,7H2,(H,15,16).
What are the key properties of 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol?
3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol has a molecular weight of 269.13 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-2-(1H-imidazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 54440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).