6-(4-Chlorophenyl)benzimidazo[1,2-c]quinazoline
Basic information
- CAS
105997-06-6- Standard SMILES
Clc1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1- InChIKey
RIWUKOKYYDOJSC-UHFFFAOYSA-N- Molecular formula
- C20H12ClN3
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.0719751
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)benzimidazo[1,2-c]quinazoline
- IUPAC
- 6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazoline
- English name
- 6-(4-chlorophenyl)benzo[4,5]imidazo[1,2-c]quinazoline
- Molecular formula
- C20H12ClN3
- Molecular weight
- 329.78
Names & synonyms
105997-06-66-(4-Chlorophenyl)benzimidazo[1,2-c]quinazoline6-(4-chlorophenyl)benzo[4,5]imidazo[1,2-c]quinazolineCHEMBL56190579-(4-chlorophenyl)-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene6-(4-chlorophenyl)benzimidazolo[1,2-c]quinazolineOprea1_643211RIWUKOKYYDOJSC-UHFFFAOYSA-NSTL297897AKOS001604903SR-010004076406-(4-Chlorophenyl)benzimidazo[1,2-c]quinazoline #
Show more names
Benzimidazo[1,2-c]quinazoline, 6-(4-chlorophenyl)-
SR-01000407640-1F0011-01046-(4-Chlorophenyl)benzo[4,5]imidazo[1,2-c]-quinazoline6-(4-CHLORO-PHENYL)-BENZO(4,5)IMIDAZO(1,2-C)QUINAZOLINE
Database identifiers
- CAS
105997-06-6- PubChem CID
- 630167
- ChEMBL
CHEMBL5619057- EC Number
- 150-602-3
- Nikkaji
- J1.176.718D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Melting point
- 240 · 240-241.5 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.30(Predicted)
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, P273, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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