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Basic information
- CAS
178979-61-8- Standard SMILES
CC(C)c1nc(CN)n(Cc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1- InChIKey
JJBCQNLKOWGLRH-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2N3S
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 405.08332403
Names & identifiers
- Preferred name
- 2-Aminomethyl-1-benzyl-5-(3,5-dichlorophenylthio)-4-isopropylimidazole
- IUPAC
- [1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanamine
Names & synonyms
178979-61-82-Aminomethyl-1-benzyl-5-(3,5-dichlorophenylthio)-4-isopropylimidazoleSCHEMBL6968716DTXSID40170670JJBCQNLKOWGLRH-UHFFFAOYSA-N[1-benzyl-5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-imidazol-2-yl]methanamine1-{1-Benzyl-5-[(3,5-dichlorophenyl)sulfanyl]-4-(propan-2-yl)-1H-imidazol-2-yl}methanamine
Database identifiers
- CAS
178979-61-8- PubChem CID
- 473979
- DTXSID
DTXSID40170670
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
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