Basic information
- CAS
36911-74-7- Standard SMILES
Cn1c(SCCN2CCOCC2)nc2cc([N+](=O)[O-])ccc21- InChIKey
SHKYBBFCTRLICI-UHFFFAOYSA-N- Molecular formula
- C14H18N4O3S
- Average molar mass
- 322.39 g/mol
- Monoisotopic mass
- 322.10996162
Names & identifiers
- Preferred name
- Benzimidazole, 1-methyl-2-(2-(morpholinoethyl)thio)-5-nitro-
- IUPAC
- 4-[2-(1-methyl-5-nitrobenzimidazol-2-yl)sulfanylethyl]morpholine
Names & synonyms
BRN 1161883Benzimidazole, 1-methyl-2-(2-(morpholinoethyl)thio)-5-nitro-36911-74-71-Methyl-2-(2-morpholinoethylthio)-5-nitrobenzimidazoleDTXSID80190392RefChem:325826DTXCID901128831-Methyl-2-{[2-(morpholin-4-yl)ethyl]sulfanyl}-5-nitro-1H-1,3-benzimidazole
Database identifiers
- CAS
36911-74-7- PubChem CID
- 215971
- DTXSID
DTXSID80190392- Nikkaji
- J69.227A
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…