2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine

C15H23N3OS — CID 21120353

IUPAC2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine
SMILESCCOC(C)n1c(SCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3OS/c1-5-19-12(2)18-14-9-7-6-8-13(14)16-15(18)20-11-10-17(3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyJTGGLLNHVGRWOQ-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.24
Rot. Bonds7

About 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine

2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine (PubChem CID 21120353) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine
PubChem CID21120353
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine
SMILESCCOC(C)n1c(SCCN(C)C)nc2ccccc21
InChIInChI=1S/C15H23N3OS/c1-5-19-12(2)18-14-9-7-6-8-13(14)16-15(18)20-11-10-17(3)4/h6-9,12H,5,10-11H2,1-4H3
InChIKeyJTGGLLNHVGRWOQ-UHFFFAOYSA-N
XLogP3.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine (CID 21120353) is 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine is CCOC(C)n1c(SCCN(C)C)nc2ccccc21.
What is the InChIKey of 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is JTGGLLNHVGRWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-19-12(2)18-14-9-7-6-8-13(14)16-15(18)20-11-10-17(3)4/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine?
2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 293.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethoxyethyl)benzimidazol-2-yl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 21120353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).