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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Related Compounds

1-(4-ethoxyphenyl)-2-(4-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668609
1-(4-ethoxyphenyl)-2-(3-methoxyanilino)-4H-imidazol-5-one;hydrochloride
CID 171668608
1-(4-butoxyphenyl)-2-(4-chloroanilino)-4H-imidazol-5-one
CID 3213394
6-N-(4-ethoxyphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877881
N-[4-[4-(4-ethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110596647
4-[3-(4-ethoxyphenyl)-4-(4-fluoroanilino)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110588402
3-(1,3-benzodioxol-5-ylamino)-1-(4-ethoxyphenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545000
(3S)-3-[4-(4-ethoxyanilino)piperidin-1-ium-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 7327543
ethyl 4-(4-fluorophenyl)-3,5-dioxo-2H-pyrazine-6-carboxylate
CID 167597991
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl] N'-ethyl-N-(4-fluorophenyl)carbamimidothioate
CID 2162245
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472

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).