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

C13H14FN3O2 — CID 79960062

IUPAC5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18)
InChIKeyVBPATRPPFZTQIZ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.83
Rot. Bonds3

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

5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one (PubChem CID 79960062) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
PubChem CID79960062
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one
SMILESCOc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F
InChIInChI=1S/C13H14FN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18)
InChIKeyVBPATRPPFZTQIZ-UHFFFAOYSA-N
XLogP1.83
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
1-(2,2-difluoroethyl)-3-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 100693256
1-Cyclopropyl-5-(3-fluoro-4-methoxyphenyl)-5-propan-2-ylimidazolidin-2-one
CID 68905238
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
N-[2-(dimethylamino)-1-[4-(trifluoromethoxy)phenyl]ethyl]formamide
CID 134332163
[2-(2,6-Difluoro-4-methoxyphenyl)-1-methylpiperidin-3-yl]urea
CID 140853599
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146496856
1-Methyl-4-[4-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 153674626
4-[(2-Fluorophenyl)methyl]-1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 164579890
1-[(2,3-Difluoro-4-methoxyphenyl)-fluoromethyl]-1-methylurea
CID 174487508

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one (CID 79960062) is 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one is COc1ccc(C2C(N)=NC(=O)N2C2CC2)cc1F.
What is the InChIKey of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one?
The InChIKey is VBPATRPPFZTQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-19-10-5-2-7(6-9(10)14)11-12(15)16-13(18)17(11)8-3-4-8/h2,5-6,8,11H,3-4H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one?
5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one has a molecular weight of 263.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-4-(3-fluoro-4-methoxyphenyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).