N-(3-methoxyphenyl)-1-propylbenzimidazol-2-amine
Basic information
- CAS
630092-27-2- Standard SMILES
CCCn1c(Nc2cccc(OC)c2)nc2ccccc21- InChIKey
OZLKBAXXYFRYRJ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O
- Average molar mass
- 281.35 g/mol
- Monoisotopic mass
- 281.15281224
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)-1-propylbenzimidazol-2-amine
- IUPAC
- N-(3-methoxyphenyl)-1-propylbenzimidazol-2-amine
Names & synonyms
630092-27-2N-(3-methoxyphenyl)-1-propylbenzimidazol-2-amineN-(3-methoxyphenyl)-1-propyl-1H-benzimidazol-2-amineN-(3-methoxyphenyl)-1-propyl-1H-1,3-benzodiazol-2-amineN-(3-methoxyphenyl)-1-propyl-1H-benzo[d]imidazol-2-amineMLS000974244CHEMBL2142445DTXSID401326156HMS2828N14STL357152AKOS002256152SMR000497913
Show more names
ST50756268(3-methoxyphenyl)(1-propylbenzimidazol-2-yl)amineSR-01000274119SR-01000274119-1F3257-0116
Database identifiers
- CAS
630092-27-2- PubChem CID
- 924319
- DTXSID
DTXSID401326156- ChEMBL
CHEMBL2142445
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 325
Experimental & physicochemical properties
Solubility2.1 [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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