1-imidazol-1-yl-3-phenoxypropan-2-one

C12H12N2O2 — CID 135386430

IUPAC1-imidazol-1-yl-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cn1ccnc1
InChIInChI=1S/C12H12N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyOZBJUKPPQJSXOI-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.53
Rot. Bonds5

About 1-imidazol-1-yl-3-phenoxypropan-2-one

1-imidazol-1-yl-3-phenoxypropan-2-one (PubChem CID 135386430) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-phenoxypropan-2-one.

Molecular Properties

Compound Name1-imidazol-1-yl-3-phenoxypropan-2-one
PubChem CID135386430
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-imidazol-1-yl-3-phenoxypropan-2-one
SMILESO=C(COc1ccccc1)Cn1ccnc1
InChIInChI=1S/C12H12N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2
InChIKeyOZBJUKPPQJSXOI-UHFFFAOYSA-N
XLogP1.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-imidazol-1-yl-1-phenoxy-3,3-diphenylbutan-2-one
CID 70489971
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
benzhydryl 2-imidazol-1-ylacetate
CID 3678349
(1-imidazol-1-yl-3-phenoxypropan-2-yl) benzoate
CID 2827447
1-indol-1-yl-3-phenoxypropan-2-one
CID 90966519
1-imidazol-1-yl-4-phenylbut-3-en-2-one
CID 54468308
1-imidazol-1-yl-3-phenoxypropan-1-one
CID 82113731
1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one
CID 70587638
(3-bromophenyl) 2-imidazol-1-ylacetate
CID 15284876
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-2-one?
The IUPAC name of 1-imidazol-1-yl-3-phenoxypropan-2-one (CID 135386430) is 1-imidazol-1-yl-3-phenoxypropan-2-one.
What is the SMILES notation for 1-imidazol-1-yl-3-phenoxypropan-2-one?
The canonical SMILES for 1-imidazol-1-yl-3-phenoxypropan-2-one is O=C(COc1ccccc1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-phenoxypropan-2-one?
The InChIKey is OZBJUKPPQJSXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-11(8-14-7-6-13-10-14)9-16-12-4-2-1-3-5-12/h1-7,10H,8-9H2.
What are the key properties of 1-imidazol-1-yl-3-phenoxypropan-2-one?
1-imidazol-1-yl-3-phenoxypropan-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-phenoxypropan-2-one is sourced from PubChem (CID 135386430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).