N-[(2-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
Basic information
- CAS
692274-96-7- Standard SMILES
C=CCn1c(NCc2ccccc2OC)nc2ccccc21- InChIKey
TXEPKFDUZZMFRQ-UHFFFAOYSA-N- Molecular formula
- C18H19N3O
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.15281224
Names & identifiers
- Preferred name
- N-[(2-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
- IUPAC
- N-[(2-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amine
Names & synonyms
692274-96-7N-[(2-methoxyphenyl)methyl]-1-prop-2-enylbenzimidazol-2-amineN-[(2-Methoxyphenyl)methyl]-1-(prop-2-en-1-yl)-1H-benzimidazol-2-amine(1-Allyl-1H-benzoimidazol-2-yl)-(2-methoxy-benzyl)-amineMLS001205604CHEMBL1604093DTXSID601326271HMS1615C18HMS2823P17STK806480AKOS000505784CCG-114646
Show more names
SMR000523299EU-0081642ST500217361-allyl-N-(2-methoxybenzyl)-1H-benzo[d]imidazol-2-amineN-(2-methoxybenzyl)-1-(prop-2-en-1-yl)-1H-benzimidazol-2-amineN-[(2-METHOXYPHENYL)METHYL]-1-(PROP-2-EN-1-YL)-1,3-BENZODIAZOL-2-AMINE
Database identifiers
- CAS
692274-96-7- PubChem CID
- 709563
- DTXSID
DTXSID601326271- ChEMBL
CHEMBL1604093
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Solubility30.2 [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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