Basic information
- CAS
331963-99-6- Standard SMILES
Cc1ccc(OCCn2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)c(C(C)C)c1- InChIKey
JKMPWXFEBIGQOR-UHFFFAOYSA-N- Molecular formula
- C27H28N4OS
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-[2-(2-isopropyl-4-methylphenoxy)ethyl]-1H-benzimidazole
- IUPAC
- 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
- English name
- 2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-[2-(2-isopropyl-4-methylphenoxy)ethyl]-1H-benzimidazole
- Molecular formula
- C27H28N4OS
- Molecular weight
- 456.60242
Names & synonyms
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-[2-(2-isopropyl-4-methylphenoxy)ethyl]-1H-benzimidazoleOprea1_832327AG-690/371050532-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazole
Database identifiers
- CAS
331963-99-6
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 621
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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