Basic information
- CAS
91045-25-9- Standard SMILES
CN1CCC(Cn2c(-c3ccccc3-n3c(-c4ccccc4)nc4ccc(I)cc4c3=O)nc3ccccc32)CC1- InChIKey
KGEHTKNSSKCVES-UHFFFAOYSA-N- Molecular formula
- C34H30IN5O
- Average molar mass
- 651.5 g/mol
- Monoisotopic mass
- 651.14951
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 6-iodo-3-(2-(1-((1-methyl-4-piperidinyl)methyl)-1H-benzimidazol-2-yl)-phenyl)-2-phenyl-
- IUPAC
- 6-iodo-3-[2-[1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-yl]phenyl]-2-phenylquinazolin-4-one
Names & synonyms
91045-25-94(3H)-Quinazolinone, 6-iodo-3-(2-(1-((1-methyl-4-piperidinyl)methyl)-1H-benzimidazol-2-yl)-phenyl)-2-phenyl-DTXSID00238381RefChem:284309DTXCID201608726-iodo-3-(2-(1-((1-methylpiperidin-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)phenyl)-2-phenylquinazolin-4(3H)-one6-Iodo-3-(2-{1-[(1-methylpiperidin-4-yl)methyl]-1H-1,3-benzimidazol-2-yl}phenyl)-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
91045-25-9- PubChem CID
- 63649
- DTXSID
DTXSID00238381
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 945
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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