Basic information
- CAS
110208-17-8- Standard SMILES
O=C(O)CCC(=O)Nc1ccc2nc[nH]c2c1- InChIKey
QYIKCSCISUTGTO-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 4-[(1H-Benzimidazol-6-yl)amino]-4-oxobutanoic acid
- IUPAC
- 4-(3H-benzimidazol-5-ylamino)-4-oxobutanoic acid
Names & synonyms
110208-17-84-[(1H-Benzimidazol-6-yl)amino]-4-oxobutanoic acidDTXSID606534754-[(1H-1,3-Benzimidazol-6-yl)amino]-4-oxobutanoic acid
Database identifiers
- CAS
110208-17-8- PubChem CID
- 39201044
- DTXSID
DTXSID60653475
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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