3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one

C12H11ClN2O — CID 82116505

IUPAC3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
SMILESO=C(CCc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C12H11ClN2O/c13-11-3-1-2-10(8-11)4-5-12(16)15-7-6-14-9-15/h1-3,6-9H,4-5H2
InChIKeyNJRBWAWDLVOJJM-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.81
Rot. Bonds3

About 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one

3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one (PubChem CID 82116505) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
PubChem CID82116505
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
SMILESO=C(CCc1cccc(Cl)c1)n1ccnc1
InChIInChI=1S/C12H11ClN2O/c13-11-3-1-2-10(8-11)4-5-12(16)15-7-6-14-9-15/h1-3,6-9H,4-5H2
InChIKeyNJRBWAWDLVOJJM-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
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3-(3-chlorophenyl)propanoate
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1,6-di(imidazol-1-yl)hexane-1,6-dione
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2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone
CID 57085316
3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
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3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 110464807
5-amino-1-[3-(3-chlorophenyl)propanoyl]pyrazole-4-carbonitrile
CID 51100192
N-[(3-chlorophenyl)methyl]-2-imidazol-1-yl-N-methylpropanamide
CID 42961250
3-(3-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 24726034
3-(3-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589289

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one (CID 82116505) is 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one is O=C(CCc1cccc(Cl)c1)n1ccnc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one?
The InChIKey is NJRBWAWDLVOJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-3-1-2-10(8-11)4-5-12(16)15-7-6-14-9-15/h1-3,6-9H,4-5H2.
What are the key properties of 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one?
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one has a molecular weight of 234.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 82116505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).