5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one

C22H16FN3O — CID 59770390

IUPAC5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3/c4ccc(F)cc4CCc4ncccc43)cc2[nH]1
InChIInChI=1S/C22H16FN3O/c23-15-5-6-16-14(12-15)4-8-19-17(2-1-9-24-19)18(16)10-13-3-7-20-21(11-13)26-22(27)25-20/h1-3,5-7,9-12H,4,8H2,(H2,25,26,27)/b18-10-
InChIKeyYIENXXFPYFORLM-ZDLGFXPLSA-N
MW357.39 g/mol
LogP4.08
Rot. Bonds1

About 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 59770390) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID59770390
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3/c4ccc(F)cc4CCc4ncccc43)cc2[nH]1
InChIInChI=1S/C22H16FN3O/c23-15-5-6-16-14(12-15)4-8-19-17(2-1-9-24-19)18(16)10-13-3-7-20-21(11-13)26-22(27)25-20/h1-3,5-7,9-12H,4,8H2,(H2,25,26,27)/b18-10-
InChIKeyYIENXXFPYFORLM-ZDLGFXPLSA-N
XLogP4.08
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one (CID 59770390) is 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/C=C3/c4ccc(F)cc4CCc4ncccc43)cc2[nH]1.
What is the InChIKey of 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YIENXXFPYFORLM-ZDLGFXPLSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-15-5-6-16-14(12-15)4-8-19-17(2-1-9-24-19)18(16)10-13-3-7-20-21(11-13)26-22(27)25-20/h1-3,5-7,9-12H,4,8H2,(H2,25,26,27)/b18-10-.
What are the key properties of 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 357.39 g/mol, XLogP of 4.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(13-fluoro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 59770390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).