Basic information
- CAS
311796-81-3- Standard SMILES
O=c1n(Cc2ccc(Cl)cc2)c2cc(N3CCCCC3)c([N+](=O)[O-])cc2n1Cc1ccc(Cl)cc1- InChIKey
UJUHLRGQADDGLO-UHFFFAOYSA-N- Molecular formula
- C26H24Cl2N4O3
- Average molar mass
- 511.4 g/mol
- Monoisotopic mass
- 510.122546
Names & identifiers
- Preferred name
- 1,3-Bis[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylbenzimidazol-2-one
- IUPAC
- 1,3-bis[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylbenzimidazol-2-one
- English name
- 1,3-bis(4-chlorobenzyl)-5-nitro-6-(1-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one
- Molecular formula
- C26H24Cl2N4O3
- Molecular weight
- 511.39976
Names & synonyms
1,3-bis[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylbenzimidazol-2-one1,3-bis(4-chlorobenzyl)-5-nitro-6-(1-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-oneOprea1_072305STK756679AKOS001733544ST4033640AG-205/36953265SR-01000517499SR-01000517499-11,3-bis(4-chlorobenzyl)-5-nitro-6-(piperidin-1-yl)-1,3-dihydro-2H-benzimidazol-2-one1,3-bis[(4-chlorophenyl)methyl]-5-nitro-6-(piperidin-1-yl)-1,3-dihydro-2H-benzimidazol-2-one
Database identifiers
- CAS
311796-81-3- PubChem CID
- 3111460
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 745
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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