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

C13H16FN3O — CID 79961044

IUPAC5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(F)cc1C
InChIInChI=1S/C13H16FN3O/c1-3-6-17-11(12(15)16-13(17)18)10-5-4-9(14)7-8(10)2/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18)
InChIKeyHCZSUNMOSYGDIQ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.38
Rot. Bonds3

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

5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79961044) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79961044
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1ccc(F)cc1C
InChIInChI=1S/C13H16FN3O/c1-3-6-17-11(12(15)16-13(17)18)10-5-4-9(14)7-8(10)2/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18)
InChIKeyHCZSUNMOSYGDIQ-UHFFFAOYSA-N
XLogP2.38
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one (CID 79961044) is 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1ccc(F)cc1C.
What is the InChIKey of 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is HCZSUNMOSYGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-6-17-11(12(15)16-13(17)18)10-5-4-9(14)7-8(10)2/h4-5,7,11H,3,6H2,1-2H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 249.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-fluoro-2-methylphenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79961044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).