N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
Basic information
- CAS
720675-28-5- Standard SMILES
c1ccc(-n2cnc3cc(NCc4ccco4)ccc32)cc1- InChIKey
WHYDKGNPJIYMMT-UHFFFAOYSA-N- Molecular formula
- C18H15N3O
- Average molar mass
- 289.3 g/mol
- Monoisotopic mass
- 289.12151211
Names & identifiers
- Preferred name
- N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
- IUPAC
- N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
Names & synonyms
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amineChemDiv3_014911720675-28-5MLS000664669CHEMBL1349530SCHEMBL13305095DTXSID701320488HMS1515F17HMS2730C15STK860732AKOS001721254CCG-121605
Show more names
SMR000296381SR-01000296398SR-01000296398-1N-(2-furylmethyl)-1-phenyl-1H-benzimidazol-5-amineN-(furan-2-ylmethyl)-1-phenyl-1H-benzimidazol-5-amineN-(furan-2-ylmethyl)-1-phenyl-1H-benzo[d]imidazol-5-amineN-[(Furan-2-yl)methyl]-1-phenyl-1H-benzimidazol-5-amine
Database identifiers
- CAS
720675-28-5- PubChem CID
- 828702
- DTXSID
DTXSID701320488- ChEMBL
CHEMBL1349530
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 43 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility35.5 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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