4(3H)-Quinazolinone, 3-(3-(1H-benzimidazol-2-yl)phenyl)-6-iodo-2-phenyl-

HCID 63585

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Basic information

CAS: 76618-06-9
Standard SMILES: O=c1c2cc(I)ccc2nc(-c2ccccc2)n1-c1cccc(-c2nc3ccccc3[nH]2)c1
InChIKey: FWEALSBLQXJAOP-UHFFFAOYSA-N
Molecular formula: C27H17IN4O
Average molar mass: 540.4 g/mol
Monoisotopic mass: 540.04471

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 3-(3-(1H-benzimidazol-2-yl)phenyl)-6-iodo-2-phenyl-
IUPAC: 3-[3-(1H-benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4-one

Names & synonyms

BRN 56487184(3H)-Quinazolinone, 3-(3-(1H-benzimidazol-2-yl)phenyl)-6-iodo-2-phenyl-76618-06-9DTXSID202274393-(3-(1H-Benzimidazol-2-yl)phenyl)-6-iodo-2-phenyl-4(3H)-quinazolinoneRefChem:284032DTXCID701499303-[3-(1H-1,3-Benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4(3H)-one

Database identifiers

CAS: 76618-06-9
PubChem CID: 63585
DTXSID: DTXSID20227439

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 33
Formal charge: 0
Complexity: 752

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