N-[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl]-N'-(2-nitrophenyl)thiourea
Basic information
- Standard SMILES
O=[N+]([O-])c1ccccc1NC(=S)NCCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1- InChIKey
REMJOENUJFBPHJ-UHFFFAOYSA-N- Molecular formula
- C28H30FN7O2S
- Average molar mass
- 547.6 g/mol
Names & identifiers
- Preferred name
- N-[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl]-N'-(2-nitrophenyl)thiourea
- IUPAC
- 1-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]-3-(2-nitrophenyl)thiourea
Names & synonyms
SCHEMBL11486439REMJOENUJFBPHJ-UHFFFAOYSA-NN-[2-{4-[1-(4-fluorophenylmethyl)-1H-benzimidazol-2-ylamino]-1-piperidinyl}ethyl]-N'-(2-nitrophenyl)thiourea
Database identifiers
- PubChem CID
- 12891743
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 803
Related reactions
4 records
Compound notes
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