1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one

C12H12N2O2 — CID 25143489

IUPAC1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1O
InChIInChI=1S/C12H12N2O2/c15-11-4-2-1-3-10(11)12(16)5-7-14-8-6-13-9-14/h1-4,6,8-9,15H,5,7H2
InChIKeyNHTDRRNMIJLSMH-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.86
Rot. Bonds4

About 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one

1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one (PubChem CID 25143489) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one
PubChem CID25143489
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1O
InChIInChI=1S/C12H12N2O2/c15-11-4-2-1-3-10(11)12(16)5-7-14-8-6-13-9-14/h1-4,6,8-9,15H,5,7H2
InChIKeyNHTDRRNMIJLSMH-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one (CID 25143489) is 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one is O=C(CCn1ccnc1)c1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is NHTDRRNMIJLSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11-4-2-1-3-10(11)12(16)5-7-14-8-6-13-9-14/h1-4,6,8-9,15H,5,7H2.
What are the key properties of 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one?
1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 216.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 25143489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).