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

C16H14ClFN3O+ — CID 7390719

IUPAC2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
SMILESO=C1C[NH+]=C(Nc2ccccc2Cl)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O/c17-13-3-1-2-4-14(13)20-16-19-9-15(22)21(16)10-11-5-7-12(18)8-6-11/h1-8H,9-10H2,(H,19,20)/p+1
InChIKeyHNECTCXTOOHISZ-UHFFFAOYSA-O
MW318.76 g/mol
LogP1.37
Rot. Bonds3

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

2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one (PubChem CID 7390719) has the molecular formula C16H14ClFN3O+ and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
PubChem CID7390719
Molecular FormulaC16H14ClFN3O+
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one
SMILESO=C1C[NH+]=C(Nc2ccccc2Cl)N1Cc1ccc(F)cc1
InChIInChI=1S/C16H13ClFN3O/c17-13-3-1-2-4-14(13)20-16-19-9-15(22)21(16)10-11-5-7-12(18)8-6-11/h1-8H,9-10H2,(H,19,20)/p+1
InChIKeyHNECTCXTOOHISZ-UHFFFAOYSA-O
XLogP1.37
TPSA46.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 6603884
2-(2-Chloro-phenylamino)-3-phenyl-3,5-dihydro-imidazol-4-one
CID 1454523
2-(2-Chloro-phenylamino)-3-(2,5-dimethyl-phenyl)-3,5-dihydro-imidazol-4-one
CID 6602615
IMID-4F hydrochloride
CID 11957569
IMID-4F hydrochloride, solid, solubility: >9 mg/mL in H2O, soluble
CID 16219509
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 2504178
N-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 16219510
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2,4-dioxo-3-phenylimidazolidin-1-yl)acetamide
CID 46887192
1-(2-Chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 895143
3-[(2-Chlorophenyl)methylamino]-1-phenylpyrazin-2-one
CID 16025723
2-{2-[Benzyl(methyl)amino]-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL}-N-(4-chloro-2-fluorophenyl)acetamide
CID 91904086

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The IUPAC name of 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one (CID 7390719) is 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one.
What is the SMILES notation for 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The canonical SMILES for 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one is O=C1C[NH+]=C(Nc2ccccc2Cl)N1Cc1ccc(F)cc1.
What is the InChIKey of 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
The InChIKey is HNECTCXTOOHISZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13ClFN3O/c17-13-3-1-2-4-14(13)20-16-19-9-15(22)21(16)10-11-5-7-12(18)8-6-11/h1-8H,9-10H2,(H,19,20)/p+1.
What are the key properties of 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one?
2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one has a molecular weight of 318.76 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-[(4-fluorophenyl)methyl]-4H-imidazol-3-ium-5-one is sourced from PubChem (CID 7390719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).