(2-Benzyl-1H-benzimidazol-1-yl)acetic acid
Basic information
- CAS
152342-26-2- Standard SMILES
O=C(O)Cn1c(Cc2ccccc2)nc2ccccc21- InChIKey
YGQSPVGSEYRMNB-UHFFFAOYSA-N- Molecular formula
- C16H14N2O2
- Average molar mass
- 266.29 g/mol
- Monoisotopic mass
- 266.10552769
Names & identifiers
- Preferred name
- (2-Benzyl-1H-benzimidazol-1-yl)acetic acid
- IUPAC
- 2-(2-benzylbenzimidazol-1-yl)acetic acid
- English name
- (2-Benzyl-1H-benzimidazol-1-yl)acetic acid
- Molecular formula
- C16H14N2O2
- Molecular weight
- 266.29
Names & synonyms
(2-Benzyl-1H-benzimidazol-1-yl)acetic acid152342-26-2DTXSID40347507RefChem:205790DTXCID302985792-(2-benzylbenzimidazol-1-yl)acetic acidMFCD022276422-(2-benzyl-1H-benzo[d]imidazol-1-yl)acetic acid2-(2-benzyl-1H-1,3-benzodiazol-1-yl)acetic acid(2-benzyl-1H-3,1-benzimidazol-3-ium-1-yl)acetate(2-Benzyl-benzoimidazol-1-yl)-acetic acidOprea1_105926
Show more names
ALINDA 14480CHEMBRDG-BB 67223481H-Benzimidazole-1-acetic acid, 2-(phenylmethyl)-(2-benzyl-1H-benzimidazol-1-yl)acetic acid(SALTDATA: FREE)
Oprea1_629560MLS001208120F1575-0114IFLab1_006280IFLab2_000286CHEMBL1363113SCHEMBL15643258HMS1429N10
Database identifiers
- CAS
152342-26-2- PubChem CID
- 622352
- DTXSID
DTXSID40347507- ChEMBL
CHEMBL1363113
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Experimental & physicochemical properties
Solubility22.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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