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Basic information
- Standard SMILES
CC(C)S(=O)(=O)c1ccc2c(c1)nc(CC(C)(C)C)n2CC1CC1- InChIKey
QOIHZTWJPUIHKH-UHFFFAOYSA-N- Molecular formula
- C19H28N2O2S
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.18714931
Names & identifiers
- Preferred name
- 1-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(isopropylsulfonyl)-1H-benzimidazole
- IUPAC
- 1-(cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-propan-2-ylsulfonylbenzimidazole
Names & synonyms
CHEMBL1800654SCHEMBL3996828QOIHZTWJPUIHKH-UHFFFAOYSA-NBDBM503481151-(Cyclopropylmethyl)-2-(2,2-dimethylpropyl)-5-(isopropylsulfonyl)-1H-benzimidazole
Database identifiers
- PubChem CID
- 11660288
- ChEMBL
CHEMBL1800654
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 543
Related reactions
1 records
Compound notes
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