1-(3-imidazol-1-ylphenyl)propan-2-one

C12H12N2O — CID 82607597

IUPAC1-(3-imidazol-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(-n2ccnc2)c1
InChIInChI=1S/C12H12N2O/c1-10(15)7-11-3-2-4-12(8-11)14-6-5-13-9-14/h2-6,8-9H,7H2,1H3
InChIKeyJAOBOMYNMZRLPP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.00
Rot. Bonds3

About 1-(3-imidazol-1-ylphenyl)propan-2-one

1-(3-imidazol-1-ylphenyl)propan-2-one (PubChem CID 82607597) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-imidazol-1-ylphenyl)propan-2-one
PubChem CID82607597
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(3-imidazol-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(-n2ccnc2)c1
InChIInChI=1S/C12H12N2O/c1-10(15)7-11-3-2-4-12(8-11)14-6-5-13-9-14/h2-6,8-9H,7H2,1H3
InChIKeyJAOBOMYNMZRLPP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-imidazol-1-ylphenyl)-1-thiophen-2-ylethanone;hydrobromide
CID 173193953
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
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N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
2-(3-imidazol-1-ylphenyl)-1-[3-[2-(4-methylpyrimidin-5-yl)ethynyl]phenyl]ethanone
CID 158569619
1-(3-tert-butylphenyl)imidazole
CID 59332766
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
N-(3-imidazol-1-ylphenyl)-2-methoxyacetamide
CID 47215494
3-hydroxy-2-(4-imidazol-1-ylphenyl)-6-(2-oxopropyl)chromen-4-one
CID 58097571
1-[(3-imidazol-1-ylphenyl)methyl]-3-(4-methoxy-4-methylpentan-2-yl)urea
CID 71990049
methyl 2-hydroxy-2-(3-imidazol-1-ylphenyl)acetate
CID 117335974

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylphenyl)propan-2-one?
The IUPAC name of 1-(3-imidazol-1-ylphenyl)propan-2-one (CID 82607597) is 1-(3-imidazol-1-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-imidazol-1-ylphenyl)propan-2-one?
The canonical SMILES for 1-(3-imidazol-1-ylphenyl)propan-2-one is CC(=O)Cc1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylphenyl)propan-2-one?
The InChIKey is JAOBOMYNMZRLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10(15)7-11-3-2-4-12(8-11)14-6-5-13-9-14/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylphenyl)propan-2-one?
1-(3-imidazol-1-ylphenyl)propan-2-one has a molecular weight of 200.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylphenyl)propan-2-one is sourced from PubChem (CID 82607597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).