1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one

C16H23N3O2 — CID 80579333

IUPAC1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
SMILESCCn1ccn(CC(NC)c2cc(C)ccc2OC)c1=O
InChIInChI=1S/C16H23N3O2/c1-5-18-8-9-19(16(18)20)11-14(17-3)13-10-12(2)6-7-15(13)21-4/h6-10,14,17H,5,11H2,1-4H3
InChIKeyPDFKEKVIHYVSDT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.95
Rot. Bonds6

About 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one

1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one (PubChem CID 80579333) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
PubChem CID80579333
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one
SMILESCCn1ccn(CC(NC)c2cc(C)ccc2OC)c1=O
InChIInChI=1S/C16H23N3O2/c1-5-18-8-9-19(16(18)20)11-14(17-3)13-10-12(2)6-7-15(13)21-4/h6-10,14,17H,5,11H2,1-4H3
InChIKeyPDFKEKVIHYVSDT-UHFFFAOYSA-N
XLogP1.95
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyridin-2-one
CID 62962498
2-(3,4-dimethylpyrrolidin-1-yl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79188328
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
3-(2-methoxy-5-methylphenyl)-3-(methylamino)propanenitrile
CID 116955091
1-(2-methoxy-5-methylphenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848296
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
N',N'-diethyl-1-(2-methoxy-5-methylphenyl)-N-methylpropane-1,3-diamine
CID 79087818
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylbutylsulfonyl)ethanamine
CID 107759707
1-(2-methoxy-5-methylphenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949690
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one (CID 80579333) is 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one is CCn1ccn(CC(NC)c2cc(C)ccc2OC)c1=O.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one?
The InChIKey is PDFKEKVIHYVSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-18-8-9-19(16(18)20)11-14(17-3)13-10-12(2)6-7-15(13)21-4/h6-10,14,17H,5,11H2,1-4H3.
What are the key properties of 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one?
1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]imidazol-2-one is sourced from PubChem (CID 80579333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).