Basic information
- CAS
245-47-6- Standard SMILES
c1ccc2c(c1)nc1ccccn12- InChIKey
FODVQKYUAIWTKY-UHFFFAOYSA-N- Molecular formula
- C11H8N2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.06874826
Names & identifiers
- Preferred name
- Pyrido[1,2-a]benzimidazole
- IUPAC
- pyrido[1,2-a]benzimidazole
- English name
- Pyrido[1,2-a]benzimidazole (7CI,8CI,9CI)
- Molecular formula
- C11H8N2
- Molecular weight
- 168.19
Names & synonyms
Pyrido[1,2-a]benzimidazole245-47-6Benzo[4,5]imidazo[1,2-a]pyridine1,8-Diazatricyclo[7.4.0.0,2,7]trideca-2,4,6,8,10,12-hexaene1,8-DIAZATRICYCLO[7.4.0.0(2),?]TRIDECA-2,4,6,8,10,12-HEXAENENSC660430SCHEMBL832454SCHEMBL832455SCHEMBL832456SCHEMBL839837Pyrido[1,2-a]benzimidazole #SCHEMBL5573020
Show more names
Pyrido[1,2-a]benzimidazole (7CI,8CI,9CI)
CHEMBL1973116DTXSID70327498FODVQKYUAIWTKY-UHFFFAOYSA-NPyrido[1,2-a][1,3]benzimidazoleAKOS006371672HS-5362NSC-660430NCI60_021146
Database identifiers
- CAS
245-47-6- PubChem CID
- 378348
- DTXSID
DTXSID70327498- ChEMBL
CHEMBL1973116- Nikkaji
- J1.395.314G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 176 · 176-177 °C
- Boiling point
- 272.1 · 272.1±22.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 6.8 · 6.80±0.30(Predicted)
Chemistry & industry
Suppliers4 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…