1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

C13H13ClN2O — CID 115784448

IUPAC1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccn2C)ccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-9-7-10(3-4-11(9)14)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3
InChIKeyHDMIYUHIJFQEDO-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone

1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 115784448) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID115784448
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCc1cc(C(=O)Cc2nccn2C)ccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-9-7-10(3-4-11(9)14)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3
InChIKeyHDMIYUHIJFQEDO-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 107996510
1-(4-fluoro-3-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784488
2-(1-methylimidazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 12049984
2-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 115580311
2-(1-methylimidazol-2-yl)-1-pyridazin-4-ylethanone
CID 105116274
1-(4-chloro-3-methylphenyl)-2-(2-chloropyrimidin-4-yl)ethanone
CID 58377221
1-(4-chloro-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062652
(1-methylimidazol-2-yl)methyl 3-chloro-4-methylbenzoate
CID 71912654
1-(5-chlorothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784458
1-(4-bromo-3-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784801
2-(1-methylimidazol-2-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529672
1-(2-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 115784443

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone (CID 115784448) is 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is Cc1cc(C(=O)Cc2nccn2C)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is HDMIYUHIJFQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-7-10(3-4-11(9)14)12(17)8-13-15-5-6-16(13)2/h3-7H,8H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 248.71 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 1-(4-chloro-3-methylphenyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 115784448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).