6-[5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2-methylcyclohexa-2,4-dien-1-imine
Basic information
- CAS
1356781-02-6- Standard SMILES
Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1N- InChIKey
YGMGYFROAAHZKJ-UHFFFAOYSA-N- Molecular formula
- C17H18FN3
- Average molar mass
- 283.34 g/mol
- Monoisotopic mass
- 283.14847575
Names & identifiers
- Preferred name
- 6-[5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2-methylcyclohexa-2,4-dien-1-imine
- IUPAC
- 2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
Names & synonyms
1356781-02-66-[5-fluoro-1-(propan-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-2-methylcyclohexa-2,4-dien-1-imine2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline2-[5-fluoro-1-(propan-2-yl)-1H-1,3-benzodiazol-2-yl]-6-methylaniline6-(5-Fluoro-1-isopropyl-1,3-dihydro-2h-benzo[d]imidazol-2-ylidene)-2-methylcyclohexa-2,4-dien-1-imineCS-0306128EN300-90382G46184Z1262398515
Database identifiers
- CAS
1356781-02-6- PubChem CID
- 54595488
- EC Number
- 186-828-4
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Compound notes
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