4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one

C14H19N3O2 — CID 79961440

IUPAC4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one
SMILESCOc1ccc(CCC2(C)C(N)=NC(=O)N2C)cc1
InChIInChI=1S/C14H19N3O2/c1-14(12(15)16-13(18)17(14)2)9-8-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyFBMPLLURPFXSLE-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.81
Rot. Bonds4

About 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one

4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one (PubChem CID 79961440) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one
PubChem CID79961440
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one
SMILESCOc1ccc(CCC2(C)C(N)=NC(=O)N2C)cc1
InChIInChI=1S/C14H19N3O2/c1-14(12(15)16-13(18)17(14)2)9-8-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,15,16,18)
InChIKeyFBMPLLURPFXSLE-UHFFFAOYSA-N
XLogP1.81
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-1-propan-2-ylimidazol-2-one
CID 79972539
5-ethyl-1-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 65444998
(5R)-3-(2-ethoxyethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8608588
3-hydroxy-3-[2-(4-methoxyphenyl)ethyl]-2-methylisoindol-1-one
CID 102482299
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-phenoxyethyl)imidazolidine-2,4-dione
CID 8506760
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
1-[2-(4-methoxyphenyl)ethyl]triazol-4-amine
CID 79529466
4-[2-(4-methoxyphenyl)ethyl]morpholine-2,6-dione
CID 55237705
(5S)-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 9170689
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
1-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)methyl]-5-methyl-4H-imidazol-2-amine
CID 79498021

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one?
The IUPAC name of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one (CID 79961440) is 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one.
What is the SMILES notation for 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one?
The canonical SMILES for 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one is COc1ccc(CCC2(C)C(N)=NC(=O)N2C)cc1.
What is the InChIKey of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one?
The InChIKey is FBMPLLURPFXSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(12(15)16-13(18)17(14)2)9-8-10-4-6-11(19-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,15,16,18).
What are the key properties of 4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one?
4-amino-5-[2-(4-methoxyphenyl)ethyl]-1,5-dimethylimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.81, 4 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]-1,5-dimethylimidazol-2-one is sourced from PubChem (CID 79961440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).