2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide

C14H20N4OS — CID 82311925

IUPAC2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
SMILESCC(c1nc2ccccc2n1CC(N)=S)N(C)CCO
InChIInChI=1S/C14H20N4OS/c1-10(17(2)7-8-19)14-16-11-5-3-4-6-12(11)18(14)9-13(15)20/h3-6,10,19H,7-9H2,1-2H3,(H2,15,20)
InChIKeyOXIZXQZHIJJRGB-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.31
Rot. Bonds6

About 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide

2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide (PubChem CID 82311925) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide.

Molecular Properties

Compound Name2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
PubChem CID82311925
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide
SMILESCC(c1nc2ccccc2n1CC(N)=S)N(C)CCO
InChIInChI=1S/C14H20N4OS/c1-10(17(2)7-8-19)14-16-11-5-3-4-6-12(11)18(14)9-13(15)20/h3-6,10,19H,7-9H2,1-2H3,(H2,15,20)
InChIKeyOXIZXQZHIJJRGB-UHFFFAOYSA-N
XLogP1.31
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
CID 82311721
3-[2-[1-[2-hydroxyethyl(methyl)amino]propyl]benzimidazol-1-yl]propan-1-ol
CID 82311869
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 43290786
2-[2-[2-(4-methylphenyl)ethyl]benzimidazol-1-yl]ethanethioamide
CID 39148199
3-[methyl-[1-(1-methylbenzimidazol-2-yl)ethyl]amino]propanoic acid
CID 65063064
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
2-[1-[1-(1-aminopropan-2-yl)-5-methylbenzimidazol-2-yl]ethyl-methylamino]ethanol
CID 82311364
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide?
The IUPAC name of 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide (CID 82311925) is 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide.
What is the SMILES notation for 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide?
The canonical SMILES for 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide is CC(c1nc2ccccc2n1CC(N)=S)N(C)CCO.
What is the InChIKey of 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide?
The InChIKey is OXIZXQZHIJJRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(17(2)7-8-19)14-16-11-5-3-4-6-12(11)18(14)9-13(15)20/h3-6,10,19H,7-9H2,1-2H3,(H2,15,20).
What are the key properties of 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide?
2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide has a molecular weight of 292.41 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanethioamide is sourced from PubChem (CID 82311925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).