Basic information
- CAS
2080-75-3- Standard SMILES
COc1ccc2[nH]c(=O)[nH]c2c1- InChIKey
AUPLVAKFTYFHTA-UHFFFAOYSA-N- Molecular formula
- C8H8N2O2
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.0585775
Names & identifiers
- Preferred name
- 1,3-Dihydro-5-methoxy-2H-benzimidazol-2-one
- IUPAC
- 5-methoxy-1,3-dihydrobenzimidazol-2-one
- English name
- 5-METHOXY-2-BENZIMIDAZOLINONE
- Molecular formula
- C8H8N2O2
- Molecular weight
- 164.16
Names & synonyms
4M8NZB6TTN1,3-Dihydro-5-methoxy-2H-benzimidazol-2-oneRefChem:10528462080-75-35-Methoxy-1H-benzo[d]imidazol-2(3H)-one5-METHOXY-2-BENZIMIDAZOLINONE5-methoxy-1,3-dihydrobenzimidazol-2-one2-Hydroxy-5-methoxybenzimidazole2H-Benzimidazol-2-one, 1,3-dihydro-5-methoxy-Omeprazole Impurity R2-Benzimidazolinone, 5-methoxy-UNII-4M8NZB6TTN
Show more names
BUTTPARK 121\04-68Omeprazole Impurity 145-METHOXYBENZIMIDAZOLONE5-METHOXYBENZIMIDAZOL-2-ONE5-Methoxy-benzimidazolin-2-onEsomeprazole Sodium Impurity 445-Methoxybenzimidazol-2(3H)-one
MFCD014620485-METHOXY-BENZIMIDAZOLIN-2-ONE5-Methoxybenzimidazolin-2-one5-methoxy-1,3-dihydro-2H-benzo[d]imidazol-2-oneMFCD00051946AKOS0091579905-methoxy-3-hydrobenzimidazol-2-oneESOMEPRAZOLE IMPURITY 6
Database identifiers
- CAS
2080-75-3
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Melting point
- 255 °C · 255°C (dec.)
- Boiling point
- 174.5 · 174.5±19.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO, Methanol (Slightly)
- form
- Solid
- pka
- 11.53 · 11.53±0.30(Predicted)
- color
- Off-White to Dark Brown
- BRN
- 141043 · 141043
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C8H8N2O2/c1-12-5-2-3-6-7(4-5)10-8(11)9-6/h2-4H,1H3,(H2,9,10,11)
- InChIKey
- AUPLVAKFTYFHTA-UHFFFAOYSA-N
- SMILES
- [nH]1c2c(nc1O)ccc(c2)OC
- CAS DataBase Reference
- 2080 · 2080-75-3(CAS DataBase Reference)
- FDA UNII
- 4 M8NZB6TTN · 4M8NZB6TTN
- UNSPSC Code
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesBenzimidazole derivative. An intermediate for a novel class of 2-{3-oxospiro[isobenzofuran -1(3H),4'-piperidin]-1'-yl}benzimidazole NPY Y5 receptor antagonist.
UsesBenzimidazole derivative. An intermediate for a novel class of 2-{3-oxospiro[isobenzofuran-1(3H),4''-piperidin]-1''-yl}benzimidazole NPY Y5 receptor antagonist. An impurity of Esomeprazole, which is a gastric proton-pump inhibitor.
Uses5-METHOXY-2-BENZIMIDAZOLINONE is a useful synthetic intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
南京翔睿科技有限公司021-021-00000000 15715199582
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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