1-(1H-benzimidazol-2-yl)-N-benzylethanamine;2-hydroxyacetic acid

Substructure search Find similar structures

Basic information

CAS: 7498-46-6
Standard SMILES: CC(NCc1ccccc1)c1nc2ccccc2[nH]1.O=C(O)CO
InChIKey: JZOPCRSKUCGUPU-UHFFFAOYSA-N
Molecular formula: C18H21N3O3
Average molar mass: 327.4 g/mol
Monoisotopic mass: 327.15829154

Names & identifiers

Preferred name: 1-(1H-benzimidazol-2-yl)-N-benzylethanamine;2-hydroxyacetic acid
IUPAC: 1-(1H-benzimidazol-2-yl)-N-benzylethanamine;2-hydroxyacetic acid

Names & synonyms

7498-46-6NSC407498DTXSID80324670NSC-407498Hydroxyacetic acid--1-(1H-benzimidazol-2-yl)-N-benzylethan-1-amine (1/1)Hydroxyacetic acid--1-(1H-1,3-benzimidazol-2-yl)-N-benzylethan-1-amine (1/1)

Database identifiers

CAS: 7498-46-6
PubChem CID: 348257
DTXSID: DTXSID80324670

Properties

Computed structural properties

Topological polar surface area: 98.2 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 315

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…