2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
Basic information
- CAS
313958-73-5- Standard SMILES
COc1ccc(CCCc2nc3ccccc3[nH]2)cc1- InChIKey
IVCCYLMOMPQERQ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.1419132
Names & identifiers
- Preferred name
- 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
- IUPAC
- 2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole
Names & synonyms
2-[3-(4-methoxyphenyl)propyl]-1H-benzimidazole313958-73-5MLS0007113201H-Benzimidazole, 2-[3-(4-methoxyphenyl)propyl]-SMR000281087TimTec1_001447Oprea1_083832Oprea1_535261cid_697370CHEMBL1510955SCHEMBL25334690SCHEMBL32680055
Show more names
BDBM52622DTXSID90351316HMS1538B17HMS2753B12STK833987AKOS000620723ST0233101-(3-benzimidazol-2-ylpropyl)-4-methoxybenzene
Database identifiers
- CAS
313958-73-5- PubChem CID
- 697370
- DTXSID
DTXSID90351316- ChEMBL
CHEMBL1510955
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Solubility37.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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