2-imidazol-1-yl-1-phenylpropan-1-one

C12H12N2O — CID 13282605

IUPAC2-imidazol-1-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O/c1-10(14-8-7-13-9-14)12(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNEMQLZHEQLCIBS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.33
Rot. Bonds3

About 2-imidazol-1-yl-1-phenylpropan-1-one

2-imidazol-1-yl-1-phenylpropan-1-one (PubChem CID 13282605) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-phenylpropan-1-one
PubChem CID13282605
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-imidazol-1-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)n1ccnc1
InChIInChI=1S/C12H12N2O/c1-10(14-8-7-13-9-14)12(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNEMQLZHEQLCIBS-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazol-1-ylpropanoic acid
CID 16788764
(2R)-2-imidazol-1-yl-1,3-diphenylpropan-1-one
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N-[5-[[(2S)-2-imidazol-1-ylpropanoyl]amino]-2-pyridinyl]benzamide
CID 95777975
2-imidazol-1-yl-1-phenyldecan-1-one
CID 71385679
2-imidazol-1-yl-1-phenyltetradecan-1-one
CID 71365660
5-[(2-imidazol-1-yl-1-phenylpropylidene)amino]oxypentanoic acid
CID 85079634
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
carbonic acid;1-propan-2-ylimidazole
CID 175084414
2-aminooxy-7-imidazol-1-yl-6-phenyloct-5-enoic acid
CID 54291764
(2S)-N-benzyl-N-[(2R)-butan-2-yl]-2-imidazol-1-ylpropanamide
CID 95617382
3-imidazol-1-yl-1-phenylhexan-1-one
CID 19825175
(2R)-2-imidazol-1-yl-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 94117739

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-phenylpropan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-phenylpropan-1-one (CID 13282605) is 2-imidazol-1-yl-1-phenylpropan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-phenylpropan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-phenylpropan-1-one?
The InChIKey is NEMQLZHEQLCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10(14-8-7-13-9-14)12(15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 2-imidazol-1-yl-1-phenylpropan-1-one?
2-imidazol-1-yl-1-phenylpropan-1-one has a molecular weight of 200.24 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-phenylpropan-1-one is sourced from PubChem (CID 13282605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).