Basic information
- CAS
825616-22-6- Standard SMILES
COc1cccc(C(=O)Nc2c[nH]nc2-c2nc3ccccc3[nH]2)c1- InChIKey
XNRFGSUEBZVZOT-UHFFFAOYSA-N- Molecular formula
- C18H15N5O2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.12257474
Names & identifiers
- Preferred name
- N-[3-(2H-Benzimidazol-2-ylidene)-2,3-dihydro-1H-pyrazol-4-yl]-3-methoxybenzamide
- IUPAC
- N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide
Names & synonyms
825616-22-6N-(3-(1H-Benzo[d]imidazol-2-yl)-1H-pyrazol-4-yl)-3-methoxybenzamideSCHEMBL1644588DTXSID70730524XNRFGSUEBZVZOT-UHFFFAOYSA-NN-[3-(2H-Benzimidazol-2-ylidene)-2,3-dihydro-1H-pyrazol-4-yl]-3-methoxybenzamideN-[3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxy-benzamideN-[3-(2H-1,3-Benzimidazol-2-ylidene)-2,3-dihydro-1H-pyrazol-4-yl]-3-methoxybenzamide
Database identifiers
- CAS
825616-22-6- PubChem CID
- 136073478
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 476
Related reactions
2 records
Compound notes
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