1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone

C14H16N2O — CID 63975424

IUPAC1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
SMILESCCn1ccnc1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H16N2O/c1-3-16-9-8-15-14(16)13(17)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyJTMICVDKOGMZCL-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone

1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone (PubChem CID 63975424) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
PubChem CID63975424
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
SMILESCCn1ccnc1C(=O)Cc1ccc(C)cc1
InChIInChI=1S/C14H16N2O/c1-3-16-9-8-15-14(16)13(17)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyJTMICVDKOGMZCL-UHFFFAOYSA-N
XLogP2.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-ethylimidazol-2-yl)ethanone
CID 63975634
1-(1-ethylimidazol-2-yl)-2-thiophen-3-ylethanone
CID 105101257
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
CID 65141818
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone (CID 63975424) is 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone is CCn1ccnc1C(=O)Cc1ccc(C)cc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is JTMICVDKOGMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-16-9-8-15-14(16)13(17)10-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone?
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 228.30 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 63975424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).