N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-4-methylaniline
Basic information
- CAS
292052-60-9- Standard SMILES
Cc1ccc(NCc2nc3ccccc3n2Cc2ccccc2)cc1- InChIKey
JKSOEUOVKWKUMF-UHFFFAOYSA-N- Molecular formula
- C22H21N3
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.17354768
Names & identifiers
- Preferred name
- N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-4-methylaniline
- IUPAC
- N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methylaniline
Names & synonyms
N-[(1-benzyl-1H-benzimidazol-2-yl)methyl]-4-methylaniline292052-60-9ZINC274889N-(4-Methylphenyl)-1-(phenylmethyl)-1H-benzimidazole-2-methanamineZINC00274889Oprea1_080181Oprea1_222458N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methylanilineDTXSID501165664MFCD01470655STK048285AKOS000673519
Show more names
Cc1ccc(cc1)NCc1nc2c(n1Cc1ccccc1)cccc2ZINC000000274889AG-690/12869291SR-01000418230(1BENZYL1HBENZOIMIDAZOL2YLMETHYL)PTOLYLAMINESR-01000418230-1N((1BENZYLBENZIMIDAZOL2YL)METHYL)4METHYLANILINEN((1BENZYL1HBENZIMIDAZOL2YL)METHYL)4METHYLANILINE
Database identifiers
- CAS
292052-60-9- PubChem CID
- 780957
- DTXSID
DTXSID501165664
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 29.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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