5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one
Basic information
- CAS
73778-94-6- Standard SMILES
Cc1cc2c(cc1N)n(C)c(=O)n2C- InChIKey
DHPXTEFKFUCWDK-UHFFFAOYSA-N- Molecular formula
- C10H13N3O
- Average molar mass
- 191.23 g/mol
- Monoisotopic mass
- 191.10586205
Names & identifiers
- Preferred name
- 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one
- IUPAC
- 5-amino-1,3,6-trimethylbenzimidazol-2-one
- English name
- 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: FREE)
- Molecular formula
- C10H13N3O
- Molecular weight
- 191.23
Names & synonyms
73778-94-65-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one5-Amino-1,3,6-trimethyl-1H-benzo[d]imidazol-2(3H)-one5-amino-1,3,6-trimethylbenzimidazol-2-oneMFCD077929295-Amino-1,3,6-trimethyl-1,3-dihydro-benzoimidazol-2-oneCHEMBL23353815-Amino-1,3,6-trimethyl-1,3-dihydro-2H-benzo[d]imidazol-2-one5-AMINO-1,3,6-TRIMETHYL-1,3-BENZODIAZOL-2-ONE4tyl5-amino-1,3,6-trimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-oneSCHEMBL16771511
Show more names
2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-1,3,6-trimethyl-5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one(SALTDATA: FREE)
DTXSID80424548BDBM50030938STL259654AKOS000111817BS-36970ST103009SY422315DB-185642
Database identifiers
- CAS
73778-94-6- PubChem CID
- 6486007
- DTXSID
DTXSID80424548- ChEMBL
CHEMBL2335381- Nikkaji
- J3.248.372K
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
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Related reactions
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Compound notes
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