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

C11H12FN3O — CID 79960127

IUPAC5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one
SMILESCc1cc(F)ccc1C1C(N)=NC(=O)N1C
InChIInChI=1S/C11H12FN3O/c1-6-5-7(12)3-4-8(6)9-10(13)14-11(16)15(9)2/h3-5,9H,1-2H3,(H2,13,14,16)
InChIKeyKYSIMFZXURKNJI-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.60
Rot. Bonds1

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

5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 79960127) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one
PubChem CID79960127
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one
SMILESCc1cc(F)ccc1C1C(N)=NC(=O)N1C
InChIInChI=1S/C11H12FN3O/c1-6-5-7(12)3-4-8(6)9-10(13)14-11(16)15(9)2/h3-5,9H,1-2H3,(H2,13,14,16)
InChIKeyKYSIMFZXURKNJI-UHFFFAOYSA-N
XLogP1.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.60
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-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one (CID 79960127) is 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one is Cc1cc(F)ccc1C1C(N)=NC(=O)N1C.
What is the InChIKey of 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is KYSIMFZXURKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-5-7(12)3-4-8(6)9-10(13)14-11(16)15(9)2/h3-5,9H,1-2H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(4-fluoro-2-methylphenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.60, 1 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-methyl-4H-imidazol-2-one is sourced from PubChem (CID 79960127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).