5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

C14H9F2N3O — CID 23793503

IUPAC5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3c(F)cccc3F)cc2[nH]1
InChIInChI=1S/C14H9F2N3O/c15-10-2-1-3-11(16)9(10)7-17-8-4-5-12-13(6-8)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+
InChIKeyICWBVWNAYIEYTL-REZTVBANSA-N
MW273.24 g/mol
LogP2.88
Rot. Bonds2

About 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 23793503) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID23793503
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/N=C/c3c(F)cccc3F)cc2[nH]1
InChIInChI=1S/C14H9F2N3O/c15-10-2-1-3-11(16)9(10)7-17-8-4-5-12-13(6-8)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+
InChIKeyICWBVWNAYIEYTL-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 23793503) is 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/N=C/c3c(F)cccc3F)cc2[nH]1.
What is the InChIKey of 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ICWBVWNAYIEYTL-REZTVBANSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-10-2-1-3-11(16)9(10)7-17-8-4-5-12-13(6-8)19-14(20)18-12/h1-7H,(H2,18,19,20)/b17-7+.
What are the key properties of 5-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2,6-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-[(2,6-difluorophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 23793503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).