Basic information
- CAS
172469-85-1- Standard SMILES
Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1nc2ccccc2[nH]1- InChIKey
PLMDZCGWTYVBAF-UHFFFAOYSA-N- Molecular formula
- C13H10N4O3S
- Average molar mass
- 302.31 g/mol
- Monoisotopic mass
- 302.04736137
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 4-(1H-benzimidazol-2-ylthio)-5-methyl-3-nitro-
- IUPAC
- 4-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
2(1H)-Pyridinone, 4-(1H-benzimidazol-2-ylthio)-5-methyl-3-nitro-172469-85-1CHEMBL142809SCHEMBL7008564DTXSID101692984-(1H-benzimidazol-2-ylsulfanyl)-5-methyl-3-nitro-1H-pyridin-2-one3-NO2-2-Pyridinone, BzImid-SH deriv.4-[(1H-1,3-Benzimidazol-2-yl)sulfanyl]-5-methyl-3-nitropyridin-2(1H)-one
Database identifiers
- CAS
172469-85-1- PubChem CID
- 464587
- DTXSID
DTXSID10169298- ChEMBL
CHEMBL142809
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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