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

C14H10FN3O — CID 620471

IUPAC5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C14H10FN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-8H,(H2,17,18,19)/b16-8+
InChIKeyIGSIGFQTOBXOQY-LZYBPNLTSA-N
MW255.25 g/mol
LogP2.75
Rot. Bonds2

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

5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 620471) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID620471
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C14H10FN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-8H,(H2,17,18,19)/b16-8+
InChIKeyIGSIGFQTOBXOQY-LZYBPNLTSA-N
XLogP2.75
TPSA61.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 620471) is 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IGSIGFQTOBXOQY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-3-1-9(2-4-10)8-16-11-5-6-12-13(7-11)18-14(19)17-12/h1-8H,(H2,17,18,19)/b16-8+.
What are the key properties of 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 255.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 620471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).