Basic information
- CAS
117658-75-0- Standard SMILES
COc1ccc(Nc2nc3ccccc3n2C)cc1- InChIKey
LLGLGQPJEWTVEV-UHFFFAOYSA-N- Molecular formula
- C15H15N3O
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.12151211
Names & identifiers
- Preferred name
- 1H-Benzimidazol-2-amine, N-(4-methoxyphenyl)-1-methyl-
- IUPAC
- N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amine
Names & synonyms
117658-75-01H-Benzimidazol-2-amine, N-(4-methoxyphenyl)-1-methyl-DTXSID10358903RefChem:237442DTXCID90309958N-(4-methoxyphenyl)-1-methyl-1H-benzimidazol-2-amineHMS2849E16N-(4-methoxyphenyl)-1-methylbenzimidazol-2-amineMLS000974298CHEMBL1376167REGID_for_CID_923830STL482110
Show more names
AKOS002256088SMR000497907ST50756251(4-methoxyphenyl)(1-methylbenzimidazol-2-yl)amineSR-01000273826SR-01000273826-1N-(4-Methoxyphenyl)-1-methyl-1H-1,3-benzimidazol-2-amine
Database identifiers
- CAS
117658-75-0- PubChem CID
- 923830
- DTXSID
DTXSID10358903- ChEMBL
CHEMBL1376167- Nikkaji
- J742.847B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
Solubility36.5 [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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