2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine

C15H23N3OS — CID 23833489

IUPAC2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine
SMILESCCOc1ccc2c(c1)nc(SCC)n2CCN(C)C
InChIInChI=1S/C15H23N3OS/c1-5-19-12-7-8-14-13(11-12)16-15(20-6-2)18(14)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyRQLAXGYXLBLXKL-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.11
Rot. Bonds7

About 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine

2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine (PubChem CID 23833489) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine
PubChem CID23833489
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine
SMILESCCOc1ccc2c(c1)nc(SCC)n2CCN(C)C
InChIInChI=1S/C15H23N3OS/c1-5-19-12-7-8-14-13(11-12)16-15(20-6-2)18(14)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyRQLAXGYXLBLXKL-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(aminomethyl)-5-ethoxybenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82334711
2-(chloromethyl)-5-ethoxy-1-propylbenzimidazole
CID 82334898
2-[2-[1-(dimethylamino)ethyl]-5-ethoxybenzimidazol-1-yl]ethanol
CID 82311699
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798711
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]propan-1-amine
CID 82334045
2-[5-chloro-1-[2-[ethyl(methyl)amino]ethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 62640374
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
3-(5-ethoxy-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82334661
5-ethoxy-1-ethylbenzimidazole-2-sulfonic acid
CID 25239345
2-[1-[3-(dimethylamino)propyl]-5-iodobenzimidazol-2-yl]sulfanylacetic acid
CID 66079960
4-[5-ethoxy-2-(sulfanylmethyl)benzimidazol-1-yl]butan-2-one
CID 82334968

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine (CID 23833489) is 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine is CCOc1ccc2c(c1)nc(SCC)n2CCN(C)C.
What is the InChIKey of 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is RQLAXGYXLBLXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-19-12-7-8-14-13(11-12)16-15(20-6-2)18(14)10-9-17(3)4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine?
2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 293.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2-ethylsulfanylbenzimidazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 23833489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).