1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one

C15H18N2O2 — CID 114272870

IUPAC1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCn1cnc(C(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-14(16-11-17)15(18)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3
InChIKeyQTAHVCZEOYCWBS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds6

About 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one

1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 114272870) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID114272870
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCCn1cnc(C(=O)CCc2ccc(OC)cc2)c1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-14(16-11-17)15(18)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3
InChIKeyQTAHVCZEOYCWBS-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(6-methoxypyridazin-3-yl)propan-1-one
CID 103373254
1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 102802775
1-[1-(azetidin-3-yl)triazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116590562
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
1-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]-N-methylimidazole-4-carboxamide
CID 107496849
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
1-(furan-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 65444925
1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585377
4-[3-[6-chloro-4-(4-methoxyphenyl)-2-pyridinyl]-3-oxopropyl]benzonitrile
CID 161039700
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one (CID 114272870) is 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one is CCn1cnc(C(=O)CCc2ccc(OC)cc2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is QTAHVCZEOYCWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17-10-14(16-11-17)15(18)9-6-12-4-7-13(19-2)8-5-12/h4-5,7-8,10-11H,3,6,9H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 114272870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).