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Basic information
- CAS
76618-08-1- Standard SMILES
Cc1nc2ccc(Br)cc2c(=O)n1-c1cccc(-c2nc3ccccc3[nH]2)c1- InChIKey
HYPMTNPKJHRYBT-UHFFFAOYSA-N- Molecular formula
- C22H15BrN4O
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 430.0429232
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-(3-(1H-benzimidazol-2-yl)phenyl)-6-bromo-2-methyl-
- IUPAC
- 3-[3-(1H-benzimidazol-2-yl)phenyl]-6-bromo-2-methylquinazolin-4-one
Names & synonyms
BRN 56333864(3H)-Quinazolinone, 3-(3-(1H-benzimidazol-2-yl)phenyl)-6-bromo-2-methyl-76618-08-1DTXSID902274413-(3-(1H-Benzimidazol-2-yl)phenyl)-6-bromo-2-methyl-4(3H)-quinazolinoneRefChem:284030DTXCID901499323-[3-(1H-1,3-Benzimidazol-2-yl)phenyl]-6-bromo-2-methylquinazolin-4(3H)-one
Database identifiers
- CAS
76618-08-1- PubChem CID
- 63586
- DTXSID
DTXSID90227441
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 640
Related reactions
0 records
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Compound notes
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