2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one

C16H15FN3O+ — CID 7384815

IUPAC2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
SMILESO=C1C[NH+]=C(Nc2ccccc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)11-20-15(21)10-18-16(20)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)/p+1
InChIKeyBSZADFLELFJESF-UHFFFAOYSA-O
MW284.31 g/mol
LogP0.72
Rot. Bonds3

About 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one

2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one (PubChem CID 7384815) has the molecular formula C16H15FN3O+ and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one.

Molecular Properties

Compound Name2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
PubChem CID7384815
Molecular FormulaC16H15FN3O+
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
SMILESO=C1C[NH+]=C(Nc2ccccc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)11-20-15(21)10-18-16(20)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)/p+1
InChIKeyBSZADFLELFJESF-UHFFFAOYSA-O
XLogP0.72
TPSA46.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-(4-fluoroanilino)-4H-imidazol-3-ium-5-one
CID 7390713
2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
CID 7390719
2-(4-fluoroanilino)-1-prop-2-enyl-4H-imidazol-3-ium-5-one
CID 7391106
3-anilino-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110586425
2-(3-methylanilino)-1-(2-phenylethyl)-4H-imidazol-3-ium-5-one
CID 7384764
3-anilino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110599440
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
4-[(4-fluorophenyl)methyl]thiomorpholine-3,5-dione
CID 5102084
3-[4-(dimethylamino)anilino]-1-[(4-fluorophenyl)methyl]-4-phenylpyrrole-2,5-dione
CID 110594695
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312

Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The IUPAC name of 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one (CID 7384815) is 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one.
What is the SMILES notation for 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The canonical SMILES for 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one is O=C1C[NH+]=C(Nc2ccccc2)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The InChIKey is BSZADFLELFJESF-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)11-20-15(21)10-18-16(20)19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,18,19)/p+1.
What are the key properties of 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one has a molecular weight of 284.31 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one is sourced from PubChem (CID 7384815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).