N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxybenzamide
Basic information
- CAS
303059-24-7- Standard SMILES
CC(C)Oc1ccccc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N- InChIKey
XVDXSPFNBJAEJE-UHFFFAOYSA-N- Molecular formula
- C21H17N5O2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1382248
Names & identifiers
- Preferred name
- N-(3-Cyanopyrimido(1,2-A)benzimidazol-2-YL)-2-isopropoxybenzamide
- IUPAC
- N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-propan-2-yloxybenzamide
- English name
- N-{12-cyano-1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaen-11-yl}-2-(propan-2-yloxy)benzamide
- Molecular formula
- C21H17N5O2
- Molecular weight
- 371.39
Names & synonyms
303059-24-7N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-isopropoxybenzamiden-(3-cyanopyrimido(1,2-a)benzimidazol-2-yl)-2-isopropoxybenzamideRefChem:826532663-538-0N-(3-Cyanobenzo[4,5]imidazo[1,2-a]pyrimidin-2-yl)-2-isopropoxybenzamideOprea1_374466AKOS024423929AE-641/40198055Benzamide, N-(3-cyanopyrimido[1,2-a]benzimidazol-2-yl)-2-(1-methylethoxy)-N-{12-cyano-1,8,10-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaen-11-yl}-2-(propan-2-yloxy)benzamide
Database identifiers
- CAS
303059-24-7- PubChem CID
- 3483934
- EC Number
- 663-538-0
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Physicochemical properties
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 6.54 · 6.54±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501
Suppliers
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Related reactions
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Compound notes
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