Basic information
- CAS
76618-07-0- Standard SMILES
O=c1c2cc(I)ccc2nc(-c2ccccc2)n1-c1ccc(-c2nc3ccccc3[nH]2)cc1- InChIKey
LWKYFHJBKIOKIR-UHFFFAOYSA-N- Molecular formula
- C27H17IN4O
- Average molar mass
- 540.4 g/mol
- Monoisotopic mass
- 540.04471
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(p-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl-
- IUPAC
- 3-[4-(1H-benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4-one
Names & synonyms
BRN 56527304(3H)-Quinazolinone, 3-(p-(2-benzimidazolyl)phenyl)-6-iodo-2-phenyl-76618-07-0DTXSID302274403-(p-(2-Benzimidazolyl)phenyl)-6-iodo-2-phenyl-4(3H)-quinazolinoneRefChem:284154DTXCID301499313-[4-(1H-1,3-Benzimidazol-2-yl)phenyl]-6-iodo-2-phenylquinazolin-4(3H)-one
Database identifiers
- CAS
76618-07-0- PubChem CID
- 63167
- DTXSID
DTXSID30227440- Nikkaji
- J73.040H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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