Basic information
- CAS
154055-44-4- Standard SMILES
O=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1- InChIKey
LRTBJZKSMYYSFG-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
- Monoisotopic mass
- 295.13207678
Names & identifiers
- Preferred name
- 2-{2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl}-1-phenylethanone
- IUPAC
- 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone
- English name
- 2-{2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl}-1-phenylethanone
- Molecular formula
- C17H17N3O2
- Molecular weight
- 295.34
Names & synonyms
154055-44-42-{2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl}-1-phenylethanone2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone2-(2-((2-Hydroxyethyl)amino)-1H-benzo[d]imidazol-1-yl)-1-phenylethanoneCBKinase1_000493CBKinase1_012893Cambridge id 55284402-(2-Hydroxyethylamino)-1-phenacylbenzimidazoleOprea1_012914Oprea1_044573MLS000107137SCHEMBL8565487
Show more names
Ethanone, 2-[2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl]-1-phenyl-2-{2-[(2-hydroxyethyl)amino]-1H-benzimidazol-1-yl}-1-phenylethanone(SALTDATA: HBr)
CHEMBL1603944DTXSID80385988LRTBJZKSMYYSFG-UHFFFAOYSA-NHMS1582O18HMS2596O13HMS3383J19STK038775AKOS000560052
Database identifiers
- CAS
154055-44-4- PubChem CID
- 2850100
- DTXSID
DTXSID80385988- ChEMBL
CHEMBL1603944
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 531.9 · 531.9±60.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 14.58 · 14.58±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
上海百韧生物科技有限公司13564638271 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
5 records
Compound notes
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