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

C11H12FN3O2 — CID 79959721

IUPAC5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C)cc1F
InChIInChI=1S/C11H12FN3O2/c1-15-9(10(13)14-11(15)16)6-3-4-8(17-2)7(12)5-6/h3-5,9H,1-2H3,(H2,13,14,16)
InChIKeyYJMGCVQNSLEERA-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.30
Rot. Bonds2

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

5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79959721) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79959721
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C)cc1F
InChIInChI=1S/C11H12FN3O2/c1-15-9(10(13)14-11(15)16)6-3-4-8(17-2)7(12)5-6/h3-5,9H,1-2H3,(H2,13,14,16)
InChIKeyYJMGCVQNSLEERA-UHFFFAOYSA-N
XLogP1.30
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(3-fluoro-4-methoxyphenyl)-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

2-Imidazoline, 1-(2-(diethylamino)ethyl)-5-(p-methoxyphenyl)-2-methyl-
CID 60540
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155537989
2-(4-methoxyphenyl)-N-propylpyrrolidine-1-carboxamide
CID 47103638
2-(4-Methoxyphenyl)-N-(propan-2-YL)pyrrolidine-1-carboxamide
CID 47173608
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 43709613
3-[2-(4-Fluorophenyl)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-pentan-2-ylurea
CID 47081542
1-(2,2-difluoroethyl)-3-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 100693256
4-Amino-5-fluoro-1-[2-(4-methoxyphenyl)ethyl]pyrimidin-2-one
CID 58166485
5-[4-(2-fluoroethoxy)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 59470568
1-(2-Aminoethyl)-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 68267412
N-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-N-methyl-4,5-dihydroimidazole-1-carboxamide
CID 70223573
2-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 82241112

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one (CID 79959721) is 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one is COc1ccc(C2C(N)=NC(=O)N2C)cc1F.
What is the InChIKey of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is YJMGCVQNSLEERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c1-15-9(10(13)14-11(15)16)6-3-4-8(17-2)7(12)5-6/h3-5,9H,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 237.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79959721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).