Basic information
- Standard SMILES
Cc1cc(N2CCNCC2)cc2[nH]c(-c3c(I)cc[nH]c3=O)nc12- InChIKey
OWJYLMYMJROSAM-UHFFFAOYSA-N- Molecular formula
- C17H18IN5O
- Average molar mass
- 435.26 g/mol
Names & identifiers
- Preferred name
- 4-Iodo-3-(4-methyl-6-piperazin-1-yl-1H-benzoimidazol-2-yl)-1H-pyridin-2-one
- IUPAC
- 4-iodo-3-(4-methyl-6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
Names & synonyms
SCHEMBL5137606OWJYLMYMJROSAM-UHFFFAOYSA-N4-Iodo-3-(4-methyl-6-piperazin-1-yl-1H-benzoimidazol-2-yl)-1H-pyridin-2-one
Database identifiers
- PubChem CID
- 135681908
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 571
Related reactions
2 records
Compound notes
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