5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one

C12H15N3O2 — CID 79959516

IUPAC5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCCOc1ccc(C2C(N)=NC(=O)N2C)cc1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-6-4-8(5-7-9)10-11(13)14-12(16)15(10)2/h4-7,10H,3H2,1-2H3,(H2,13,14,16)
InChIKeyBQVWHHKCOUECDP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds3

About 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one

5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959516) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79959516
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCCOc1ccc(C2C(N)=NC(=O)N2C)cc1
InChIInChI=1S/C12H15N3O2/c1-3-17-9-6-4-8(5-7-9)10-11(13)14-12(16)15(10)2/h4-7,10H,3H2,1-2H3,(H2,13,14,16)
InChIKeyBQVWHHKCOUECDP-UHFFFAOYSA-N
XLogP1.55
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(4-ethoxyphenyl)-3-prop-2-ynyl-4H-imidazol-2-one
CID 79967529
(2R,4R,6S,8S)-2,4,6,8-tetrakis(4-ethoxyphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one
CID 40629509
5-amino-4-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79973133
2-(4-ethoxyphenyl)indene-1,3-dione
CID 622331
5-amino-4-naphthalen-2-yl-3-propyl-4H-imidazol-2-one
CID 79961605
5-amino-3-ethyl-4-(6-methoxy-3-pyridinyl)-4H-imidazol-2-one
CID 114939050
5-(4-ethoxyphenyl)-1-propyl-4,5-dihydroimidazol-2-amine
CID 79509186
5-amino-4-[4-(difluoromethyl)phenyl]-3-ethyl-4H-imidazol-2-one
CID 113328663
(5S)-5-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 708719
1,2-bis(4-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108674898
ethyl (4R)-4-(4-methoxyphenyl)-3,6-dimethyl-2-methylsulfanyl-4H-pyrimidine-5-carboxylate
CID 6936940
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one (CID 79959516) is 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one is CCOc1ccc(C2C(N)=NC(=O)N2C)cc1.
What is the InChIKey of 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is BQVWHHKCOUECDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-9-6-4-8(5-7-9)10-11(13)14-12(16)15(10)2/h4-7,10H,3H2,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-ethoxyphenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).