Methyl 1-benzyl-1H-benzimidazole-5-carboxylate
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Basic information
- CAS
185428-95-9- Standard SMILES
COC(=O)c1ccc2c(c1)ncn2Cc1ccccc1- InChIKey
WUPVMGHYFHRSTG-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- Methyl 1-benzyl-1H-benzimidazole-5-carboxylate
- IUPAC
- methyl 1-benzylbenzimidazole-5-carboxylate
- English name
- Methyl 1-benzylbenzoiMidazole-5-carboxylate
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.29
Names & synonyms
185428-95-9DTXSID60711428Methyl 1-benzyl-1H-benzimidazole-5-carboxylateRefChem:353313DTXCID70662174Methyl 1-benzylbenzoimidazole-5-carboxylateMethyl 1-benzyl-1H-benzo[d]imidazole-5-carboxylatemethyl 1-benzylbenzimidazole-5-carboxylatemethyl 1-benzyl-1H-1,3-benzodiazole-5-carboxylateSCHEMBL7814456WUPVMGHYFHRSTG-UHFFFAOYSA-NMFCD18203532
Show more names
1-benzylbenzenebenzoimidazole-5-carboxylic acidmethyl ester1H-Benzimidazole-5-carboxylic acid, 1-(phenylmethyl)-, methyl ester
AKOS015999449BS-27529Methyl 1-benzyl-5-benzimidazolecarboxylateCS-0210683G65155F212447Methyl 1-benzyl-1H-1,3-benzimidazole-5-carboxylate
Database identifiers
- CAS
185428-95-9- PubChem CID
- 54450488
- DTXSID
DTXSID60711428- Nikkaji
- J1.297.439F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- Boiling point
- 452.5 · 452.5±47.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 3.95 · 3.95±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · 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-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
4 records
Compound notes
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