1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one

C17H16FN3O2 — CID 1454551

IUPAC1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one
SMILESCCOc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-2-23-15-9-7-14(8-10-15)21-16(22)11-19-17(21)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXOGGJJWSUCXVSS-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.04
Rot. Bonds4

About 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one

1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one (PubChem CID 1454551) has the molecular formula C17H16FN3O2 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one
PubChem CID1454551
Molecular FormulaC17H16FN3O2
Molecular Weight313.33 g/mol
Exact Mass313.12
IUPAC Name1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one
SMILESCCOc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H16FN3O2/c1-2-23-15-9-7-14(8-10-15)21-16(22)11-19-17(21)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,20)
InChIKeyXOGGJJWSUCXVSS-UHFFFAOYSA-N
XLogP3.04
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one (CID 1454551) is 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one is CCOc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one?
The InChIKey is XOGGJJWSUCXVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2/c1-2-23-15-9-7-14(8-10-15)21-16(22)11-19-17(21)20-13-5-3-12(18)4-6-13/h3-10H,2,11H2,1H3,(H,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one?
1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one has a molecular weight of 313.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(4-fluoroanilino)-4H-imidazol-5-one is sourced from PubChem (CID 1454551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).