(2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid
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Basic information
- CAS
436087-05-7- Standard SMILES
CNC(=O)Cc1nc2ccccc2n1CC(=O)O- InChIKey
FOCDZYNEICKHPV-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- (2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acid
- IUPAC
- 2-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid
- English name
- (2-METHYLCARBAMOYLMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
- Molecular formula
- C12H13N3O3
- Molecular weight
- 247.25
Names & synonyms
436087-05-7(2-Methylcarbamoylmethyl-benzoimidazol-1-yl)-acetic acidC12H13N3O32-[2-[2-(methylamino)-2-oxoethyl]benzimidazol-1-yl]acetic acid2-[2-(Methylamino)-2-oxoethyl]-1H-benzimidazole-1-acetic acidASN 042110143380AEOprea1_553516Oprea1_807346DTXSID00357682MFCD03113189AKOS000689877
Show more names
1H-Benzimidazole-1-acetic acid, 2-[2-(methylamino)-2-oxoethyl]-
ST083209DB-3533162-{2-[(N-methylcarbamoyl)methyl]benzimidazolyl}acetic acid2-[2-[2-(methylamino)-2-oxo-ethyl]benzimidazol-1-yl]acetic acid{2-[2-(Methylamino)-2-oxoethyl]-1H-1,3-benzimidazol-1-yl}acetic acid
Database identifiers
- CAS
436087-05-7- PubChem CID
- 860184
- DTXSID
DTXSID00357682
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- 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
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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