N-{2-[(5-Methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl}-3-methylbutan-1-amine

HCID 62583000

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Basic information

CAS: 1464851-22-6
Standard SMILES: COc1ccc2nc(SC(C)CNCCC(C)C)[nH]c2c1
InChIKey: TYHPQEUDSCQIIU-UHFFFAOYSA-N
Molecular formula: C16H25N3OS
Average molar mass: 307.5 g/mol
Monoisotopic mass: 307.1718336

Names & identifiers

Preferred name: N-{2-[(5-Methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl}-3-methylbutan-1-amine
IUPAC: N-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]-3-methylbutan-1-amine

Names & synonyms

DTXSID601144443AKOS0118746091-Butanamine, N-[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]propyl]-3-methyl-N-{2-[(5-Methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl}-3-methylbutan-1-amine1464851-22-6

Database identifiers

CAS: 1464851-22-6
PubChem CID: 62583000
DTXSID: DTXSID601144443

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 75.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 21
Formal charge: 0
Complexity: 303

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