5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C14H9F2N3O — CID 23761090

IUPAC5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C14H9F2N3O/c15-9-2-1-8(11(16)5-9)7-17-10-3-4-12-13(6-10)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+
InChIKeyGKBSTSKUEBFPOK-REZTVBANSA-N
MW273.24 g/mol
LogP2.88
Rot. Bonds2

About 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 23761090) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID23761090
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccc(F)cc3F)cc2[nH]1
InChIInChI=1S/C14H9F2N3O/c15-9-2-1-8(11(16)5-9)7-17-10-3-4-12-13(6-10)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+
InChIKeyGKBSTSKUEBFPOK-REZTVBANSA-N
XLogP2.88
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea
CID 2328600
5-{[(4-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 590528
5-{[(2-fluorophenyl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 3162122
1-Cyclohexylmethyl-5-(2,4-difluoro-phenylamino)-1,3-dihydro-benzoimidazol-2-one
CID 16721052
6-anilino-3-[(2,6-difluorophenyl)methyl]-1H-benzimidazol-2-one
CID 21937728
3-(cyclohexylmethyl)-6-(3,4-difluoroanilino)-1H-benzimidazol-2-one
CID 21937884
3-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-one
CID 962314
(E)-3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 2416567
1-(2,4-Difluorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 2542034
1-(2-Oxo-1,3-dihydrobenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2374931
5-{[2-(trifluoromethyl)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 6472239
5-({(E)-[2-(trifluoromethyl)phenyl]methylidene}amino)-1,3-dihydro-2H-benzimidazol-2-one
CID 691377

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 23761090) is 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3ccc(F)cc3F)cc2[nH]1.
What is the InChIKey of 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GKBSTSKUEBFPOK-REZTVBANSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-2-1-8(11(16)5-9)7-17-10-3-4-12-13(6-10)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+.
What are the key properties of 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 273.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 23761090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).