2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one

C10H11FN4O — CID 112586926

IUPAC2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
SMILESCCC1(c2ccc(F)cn2)N=C(N)NC1=O
InChIInChI=1S/C10H11FN4O/c1-2-10(8(16)14-9(12)15-10)7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H3,12,14,15,16)
InChIKeyHZYGFZOTMPJIJR-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.27
Rot. Bonds2

About 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one

2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one (PubChem CID 112586926) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
PubChem CID112586926
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
SMILESCCC1(c2ccc(F)cn2)N=C(N)NC1=O
InChIInChI=1S/C10H11FN4O/c1-2-10(8(16)14-9(12)15-10)7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H3,12,14,15,16)
InChIKeyHZYGFZOTMPJIJR-UHFFFAOYSA-N
XLogP0.27
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
CID 112586653
5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
CID 136925049
2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 112586788
2-amino-4-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-1H-imidazol-5-one
CID 75358920
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
CID 83128324
2-amino-4-ethyl-4-methyl-1H-imidazol-5-one
CID 82996871
2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
ethyl 3-ethyl-3-(5-fluoro-2-pyridinyl)oxirane-2-carboxylate
CID 112586733
4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 112586789
1-ethyl-5-(5-fluoro-2-pyridinyl)-5-methyl-4H-imidazol-2-amine
CID 83129047
5-(5-fluoro-2-pyridinyl)-2,2-dimethyl-1,3-dioxan-5-amine
CID 118318088

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one?
The IUPAC name of 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one (CID 112586926) is 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one.
What is the SMILES notation for 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one?
The canonical SMILES for 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one is CCC1(c2ccc(F)cn2)N=C(N)NC1=O.
What is the InChIKey of 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one?
The InChIKey is HZYGFZOTMPJIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-2-10(8(16)14-9(12)15-10)7-4-3-6(11)5-13-7/h3-5H,2H2,1H3,(H3,12,14,15,16).
What are the key properties of 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one?
2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one has a molecular weight of 222.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one is sourced from PubChem (CID 112586926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).