4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one

C16H23N3O2 — CID 79972539

IUPAC4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCOc1ccc(CCC2(C)C(N)=NC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-15(20)18-14(17)16(19,3)10-9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyRVIJLILEBILWGL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds5

About 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one

4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one (PubChem CID 79972539) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one
PubChem CID79972539
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one
SMILESCOc1ccc(CCC2(C)C(N)=NC(=O)N2C(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-11(2)19-15(20)18-14(17)16(19,3)10-9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20)
InChIKeyRVIJLILEBILWGL-UHFFFAOYSA-N
XLogP2.59
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one
CID 79961440
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
1-[2-[(1R,2S)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110349
1-[2-[(1R,2R)-2-chloro-1-methylcyclopropyl]ethyl]-4-methoxybenzene
CID 101110346
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 8506760
5-[2-(4-methoxyphenyl)ethyl]-4-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66200265
methyl 3-[2-(4-methoxyphenyl)ethyl]-3-methyl-6-oxocyclohexene-1-carboxylate
CID 11066598
1-[3-(4-methoxyphenyl)-2-methylpropoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44523062

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The IUPAC name of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one (CID 79972539) is 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one.
What is the SMILES notation for 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The canonical SMILES for 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one is COc1ccc(CCC2(C)C(N)=NC(=O)N2C(C)C)cc1.
What is the InChIKey of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one?
The InChIKey is RVIJLILEBILWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)19-15(20)18-14(17)16(19,3)10-9-12-5-7-13(21-4)8-6-12/h5-8,11H,9-10H2,1-4H3,(H2,17,18,20).
What are the key properties of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one?
4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one is sourced from PubChem (CID 79972539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).