5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one

C23H17FN2O — CID 59770465

IUPAC5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3\c4ccccc4CCc4cc(F)ccc43)cc2[nH]1
InChIInChI=1S/C23H17FN2O/c24-17-8-9-19-16(13-17)7-6-15-3-1-2-4-18(15)20(19)11-14-5-10-21-22(12-14)26-23(27)25-21/h1-5,8-13H,6-7H2,(H2,25,26,27)/b20-11+
InChIKeyPZPITYGMFXEKSS-RGVLZGJSSA-N
MW356.40 g/mol
LogP4.68
Rot. Bonds1

About 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 59770465) has the molecular formula C23H17FN2O and a molecular weight of 356.40 g/mol. Its IUPAC name is 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID59770465
Molecular FormulaC23H17FN2O
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(/C=C3\c4ccccc4CCc4cc(F)ccc43)cc2[nH]1
InChIInChI=1S/C23H17FN2O/c24-17-8-9-19-16(13-17)7-6-15-3-1-2-4-18(15)20(19)11-14-5-10-21-22(12-14)26-23(27)25-21/h1-5,8-13H,6-7H2,(H2,25,26,27)/b20-11+
InChIKeyPZPITYGMFXEKSS-RGVLZGJSSA-N
XLogP4.68
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

5-[(Z)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770114
5-[(E)-(9-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770527
(2E)-13-fluoro-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylidene]-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6-carbonitrile
CID 59770139
5-[(Z)-(12-fluoro-4-thia-6-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,11,13-pentaen-2-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 59770338
5-[(3,7-difluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dihydrobenzimidazol-2-one
CID 68889701
3-[(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68935514
6-[(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)methyl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 59770045
2-[[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 101437430
6-[(6,13-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)methyl]-3-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-one
CID 11155028
3-[(5-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]phenol
CID 68937227
2-fluoro-5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidenemethyl)phenol
CID 59770522
5-[(E)-(3-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)methyl]-1,3-dimethylbenzimidazol-2-one
CID 59770541

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one (CID 59770465) is 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(/C=C3\c4ccccc4CCc4cc(F)ccc43)cc2[nH]1.
What is the InChIKey of 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PZPITYGMFXEKSS-RGVLZGJSSA-N. The full InChI is InChI=1S/C23H17FN2O/c24-17-8-9-19-16(13-17)7-6-15-3-1-2-4-18(15)20(19)11-14-5-10-21-22(12-14)26-23(27)25-21/h1-5,8-13H,6-7H2,(H2,25,26,27)/b20-11+.
What are the key properties of 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 356.40 g/mol, XLogP of 4.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(6-fluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 59770465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).