3-imidazol-1-yl-1-phenylpropan-1-one

C12H12N2O — CID 13457361

IUPAC3-imidazol-1-yl-1-phenylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-5,7,9-10H,6,8H2
InChIKeyJHFZXQDRGYYUGG-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.16
Rot. Bonds4

About 3-imidazol-1-yl-1-phenylpropan-1-one

3-imidazol-1-yl-1-phenylpropan-1-one (PubChem CID 13457361) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-phenylpropan-1-one
PubChem CID13457361
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-imidazol-1-yl-1-phenylpropan-1-one
SMILESO=C(CCn1ccnc1)c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-5,7,9-10H,6,8H2
InChIKeyJHFZXQDRGYYUGG-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-phenylpropan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-phenylpropan-1-one (CID 13457361) is 3-imidazol-1-yl-1-phenylpropan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-phenylpropan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-phenylpropan-1-one is O=C(CCn1ccnc1)c1ccccc1.
What is the InChIKey of 3-imidazol-1-yl-1-phenylpropan-1-one?
The InChIKey is JHFZXQDRGYYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12(11-4-2-1-3-5-11)6-8-14-9-7-13-10-14/h1-5,7,9-10H,6,8H2.
What are the key properties of 3-imidazol-1-yl-1-phenylpropan-1-one?
3-imidazol-1-yl-1-phenylpropan-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-phenylpropan-1-one is sourced from PubChem (CID 13457361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).