2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

C13H13ClN2O — CID 110464807

IUPAC2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-13(2,10-4-3-5-11(14)8-10)12(17)16-7-6-15-9-16/h3-9H,1-2H3
InChIKeyOIAYGGVZVIEEGU-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.15
Rot. Bonds2

About 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one

2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 110464807) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
PubChem CID110464807
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(C)(C(=O)n1ccnc1)c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2O/c1-13(2,10-4-3-5-11(14)8-10)12(17)16-7-6-15-9-16/h3-9H,1-2H3
InChIKeyOIAYGGVZVIEEGU-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337250
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337288
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103
2-(3-chlorophenyl)-2-hydroxy-1-imidazol-1-ylethanone
CID 57085316
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505
2-(3-chlorophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119400424
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
2-(3-chlorophenyl)-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110436627
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
2-(3,4-difluorophenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82122738

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one (CID 110464807) is 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is CC(C)(C(=O)n1ccnc1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is OIAYGGVZVIEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-13(2,10-4-3-5-11(14)8-10)12(17)16-7-6-15-9-16/h3-9H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one?
2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 248.71 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 110464807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).