(5-Bromo-2-chloro-6-methylpyrimidin-4-yl)(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetonitrile
Basic information
- CAS
330196-51-5- Standard SMILES
Cc1nc(Cl)nc(C(C#N)=C2Nc3ccccc3N2C)c1Br- InChIKey
FBCGAOSVWTUNGW-UHFFFAOYSA-N- Molecular formula
- C15H11BrClN5
- Average molar mass
- 376.64 g/mol
- Monoisotopic mass
- 374.98864
Names & identifiers
- Preferred name
- (5-Bromo-2-chloro-6-methylpyrimidin-4-yl)(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetonitrile
- IUPAC
- 2-(5-bromo-2-chloro-6-methylpyrimidin-4-yl)-2-(3-methyl-1H-benzimidazol-2-ylidene)acetonitrile
Names & synonyms
DTXSID101113273330196-51-5(5-Bromo-2-chloro-6-methylpyrimidin-4-yl)(1-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene)acetonitrile5-Bromo-2-chloro-I+/--(1,3-dihydro-1-methyl-2H-benzimidazol-2-ylidene)-6-methyl-4-pyrimidineacetonitrile
Database identifiers
- CAS
330196-51-5- PubChem CID
- 3828136
- DTXSID
DTXSID101113273
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 515
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Compound notes
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