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

C13H16FN3O2 — CID 79960284

IUPAC5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O2/c1-3-6-17-11(12(15)16-13(17)18)8-4-5-10(19-2)9(14)7-8/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18)
InChIKeyDHBLFPOHCCBKQR-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.08
Rot. Bonds4

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

5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960284) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79960284
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(OC)c(F)c1
InChIInChI=1S/C13H16FN3O2/c1-3-6-17-11(12(15)16-13(17)18)8-4-5-10(19-2)9(14)7-8/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18)
InChIKeyDHBLFPOHCCBKQR-UHFFFAOYSA-N
XLogP2.08
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.08
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
(6Z)-4-[(4-fluorophenyl)methyl]-N-hexyl-5-(4-methoxyphenyl)-3-oxo-5,8-dihydro-2H-1,4-diazocine-1-carboxamide
CID 16746361
2-(4-amino-2-oxopyrimidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 44144254
(6Z)-4-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-3-oxo-N-propan-2-yl-5,8-dihydro-2H-1,4-diazocine-1-carboxamide
CID 16746363
N-(4-fluorobenzyl)-2-(4-methoxyphenyl)-1-pyrrolidinecarboxamide
CID 45925055
4-(4-methoxybenzyl)-5-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50952381
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 72145185
(2S)-N',1-bis[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155520313
(2S)-1-benzyl-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155529626
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155537989
(2S)-N'-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155566156
2-(4-methoxyphenyl)-N-propylpyrrolidine-1-carboxamide
CID 47103638

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one (CID 79960284) is 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccc(OC)c(F)c1.
What is the InChIKey of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is DHBLFPOHCCBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-3-6-17-11(12(15)16-13(17)18)8-4-5-10(19-2)9(14)7-8/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(3-fluoro-4-methoxyphenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 265.29 g/mol, XLogP of 2.08, 4 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-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).