N-Isopropyl-2-(2-{[2-(4-methylpiperidin-1-YL)-2-oxoethyl]sulfanyl}-1,3-benzodiazol-1-YL)acetamide
Basic information
- CAS
606111-26-6- Standard SMILES
CC1CCN(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)C)CC1- InChIKey
AJZKAIRYFUJKJI-UHFFFAOYSA-N- Molecular formula
- C20H28N4O2S
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.19329732
Names & identifiers
- Preferred name
- N-Isopropyl-2-(2-{[2-(4-methylpiperidin-1-YL)-2-oxoethyl]sulfanyl}-1,3-benzodiazol-1-YL)acetamide
- IUPAC
- 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide
- English name
- 1H-Benzimidazole-1-acetamide,N-(1-methylethyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
- Molecular formula
- C20H28N4O2S
- Molecular weight
- 388.53
Names & synonyms
AKOS000685754ST50391873SR-01000343100SR-01000343100-1N-ISOPROPYL-2-(2-{[2-(4-METHYLPIPERIDIN-1-YL)-2-OXOETHYL]SULFANYL}-1,3-BENZODIAZOL-1-YL)ACETAMIDE2-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-propan-2-ylacetamide1H-Benzimidazole-1-acetamide, N-(1-methylethyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-1H-Benzimidazole-1-acetamide,N-(1-methylethyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
Database identifiers
- CAS
606111-26-6- PubChem CID
- 3224817
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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