1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one
Basic information
- CAS
487006-10-0- Standard SMILES
Cn1c(=N)n(CC(=O)C(C)(C)C)c2ccccc21- InChIKey
AXGOFAWLPKTGJK-UHFFFAOYSA-N- Molecular formula
- C14H19N3O
- Average molar mass
- 245.32 g/mol
- Monoisotopic mass
- 245.15281224
Names & identifiers
- Preferred name
- 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one
- IUPAC
- 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one
- English name
- CHEMBRDG-BB 5522694
- Molecular formula
- C14H19N3O
- Molecular weight
- 245.32
Names & synonyms
487006-10-01-(2-IMINO-3-METHYL-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)-3,3-DIMETHYLBUTAN-2-ONE1-(2-Imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-3,3-dimethylbutan-2-one1-(2-imino-3-methyl-2,3-dihydro-1H-1,3-benzodiazol-1-yl)-3,3-dimethylbutan-2-one1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-oneChemDiv2_003206Oprea1_183330Oprea1_494696CHEMBL1619515SCHEMBL10016605DTXSID60349583HMS1378B16
Show more names
CHEMBRDG-BB 55226942-Butanone, 1-(2,3-dihydro-2-imino-3-methyl-1H-benzimidazol-1-yl)-3,3-dimethyl-1-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)-3,3-dimethylbutan-2-one(SALTDATA: HBr)
AKOS000560045DB-179897EU-00356021-(2-Imino-3-methyl-2,3-dihydro-1H-1,3-benzimidazol-1-yl)-3,3-dimethylbutan-2-one
Database identifiers
- CAS
487006-10-0- PubChem CID
- 654142
- DTXSID
DTXSID60349583- ChEMBL
CHEMBL1619515
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 359
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Compound notes
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