1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
Basic information
- CAS
488734-87-8- Standard SMILES
COc1ccccc1Cn1c(C)nc2ccccc21- InChIKey
MFEDHMSIAWGIGY-UHFFFAOYSA-N- Molecular formula
- C16H16N2O
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.12626314
Names & identifiers
- Preferred name
- 1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazole
- IUPAC
- 1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
Names & synonyms
488734-87-81-[(2-Methoxyphenyl)methyl]-2-methyl-1H-benzimidazole1-((2-Methoxyphenyl)methyl)-2-methyl-1H-benzimidazoleRefChem:2220421-(2-methoxybenzyl)-2-methyl-1H-benzimidazole1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazoleMLS000768769CHEMBL1310086SCHEMBL14006011DTXSID401214250HMS2811F12HMS5215L11
Show more names
STK842630AKOS002329438SMR000432087ST508138991-(2-Methoxy-benzyl)-2-methyl-1H-benzoimidazole1-(2-methoxybenzyl)-2-methyl-1H-benzo[d]imidazole2-methoxy-1-[(2-methylbenzimidazolyl)methyl]benzeneZ57187040
Database identifiers
- CAS
488734-87-8- PubChem CID
- 940002
- DTXSID
DTXSID401214250- ChEMBL
CHEMBL1310086
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 27.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
LogP3.47
Solubility37 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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