2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone

C15H18N2O — CID 63975634

IUPAC2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O/c1-4-17-8-7-16-15(17)14(18)10-13-6-5-11(2)12(3)9-13/h5-9H,4,10H2,1-3H3
InChIKeyDCIHVMGGOLPGOF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone

2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone (PubChem CID 63975634) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
PubChem CID63975634
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
SMILESCCn1ccnc1C(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C15H18N2O/c1-4-17-8-7-16-15(17)14(18)10-13-6-5-11(2)12(3)9-13/h5-9H,4,10H2,1-3H3
InChIKeyDCIHVMGGOLPGOF-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
CID 105101257
1-(3,4-dimethylphenyl)-3-(1-propylimidazol-2-yl)propan-2-one
CID 79744738
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone (CID 63975634) is 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone is CCn1ccnc1C(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone?
The InChIKey is DCIHVMGGOLPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-4-17-8-7-16-15(17)14(18)10-13-6-5-11(2)12(3)9-13/h5-9H,4,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone?
2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone is sourced from PubChem (CID 63975634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).