1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one

C14H15ClN2O — CID 62349880

IUPAC1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
SMILESCc1ncn(C(C)C(=O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C14H15ClN2O/c1-9-10(2)17(8-16-9)11(3)14(18)12-5-4-6-13(15)7-12/h4-8,11H,1-3H3
InChIKeyHMQQPWHGHPESOK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.60
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one

1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one (PubChem CID 62349880) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
PubChem CID62349880
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one
SMILESCc1ncn(C(C)C(=O)c2cccc(Cl)c2)c1C
InChIInChI=1S/C14H15ClN2O/c1-9-10(2)17(8-16-9)11(3)14(18)12-5-4-6-13(15)7-12/h4-8,11H,1-3H3
InChIKeyHMQQPWHGHPESOK-UHFFFAOYSA-N
XLogP3.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-chlorophenyl)-1-oxopropan-2-yl]imidazole-4,5-dicarbonitrile
CID 115944787
1-(3-chlorophenyl)-4,5-dimethylimidazole
CID 125478648
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
6-chloro-3-(1-oxo-1-phenylpropan-2-yl)quinazolin-4-one
CID 51056181
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
2-(4,5-dimethylimidazol-1-yl)-N,N-dimethylpropanamide
CID 116621752
(2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416165
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one;hydrobromide
CID 73416166
bis(2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one);dihydrochloride
CID 69303018
(5R)-3-[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2481092
(2R)-2-(tert-butylamino)-1-(3-chlorophenyl)-2-deuteriopropan-1-one
CID 72950433
1-(3-chlorophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]propan-1-one
CID 63165105

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one (CID 62349880) is 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one is Cc1ncn(C(C)C(=O)c2cccc(Cl)c2)c1C.
What is the InChIKey of 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one?
The InChIKey is HMQQPWHGHPESOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9-10(2)17(8-16-9)11(3)14(18)12-5-4-6-13(15)7-12/h4-8,11H,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one?
1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one has a molecular weight of 262.74 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(4,5-dimethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 62349880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).