2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethanamine

HCID 694444

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Basic information

CAS: 6998-54-5
Standard SMILES: CCOc1ccc2nc(SCCN(C)C)[nH]c2c1
InChIKey: YACRMCQSDPKEJH-UHFFFAOYSA-N
Molecular formula: C13H19N3OS
Average molar mass: 265.38 g/mol
Monoisotopic mass: 265.12488341

Names & identifiers

Preferred name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethanamine
IUPAC: 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethanamine

Names & synonyms

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethanamine6998-54-52-[(6-Ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethan-1-amineIFLab1_005415F1279-0035Oprea1_371484Oprea1_748383DTXSID30990228SMSSF-0064538AKOS002662968IDI1_010818AF-399/37305045

Show more names

N,N-dimethyl[2-(5-ethoxy-1H-1,3-benzimidazol-2-ylthio)ethyl]amine2-[(6-Ethoxy-1H-1,3-benzimidazol-2-yl)sulfanyl]-N,N-dimethylethan-1-amine

Database identifiers

CAS: 6998-54-5
PubChem CID: 694444
DTXSID: DTXSID30990228

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 252

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