2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine

C11H15N3OS — CID 22675414

IUPAC2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3OS/c12-5-6-15-7-8-16-11-13-9-3-1-2-4-10(9)14-11/h1-4H,5-8,12H2,(H,13,14)
InChIKeyJSAKPGFIDKVELV-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.63
Rot. Bonds6

About 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine

2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine (PubChem CID 22675414) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine
PubChem CID22675414
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine
SMILESNCCOCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C11H15N3OS/c12-5-6-15-7-8-16-11-13-9-3-1-2-4-10(9)14-11/h1-4H,5-8,12H2,(H,13,14)
InChIKeyJSAKPGFIDKVELV-UHFFFAOYSA-N
XLogP1.63
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
N-[2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethyl]-1,3-benzoxazol-2-amine
CID 22675440
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]propanenitrile
CID 114266467
2-[2-(3-chlorophenoxy)ethylsulfanyl]-1H-benzimidazole
CID 16539500
2-[2-(2-propan-2-ylphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 45007668
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine (CID 22675414) is 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine is NCCOCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine?
The InChIKey is JSAKPGFIDKVELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c12-5-6-15-7-8-16-11-13-9-3-1-2-4-10(9)14-11/h1-4H,5-8,12H2,(H,13,14).
What are the key properties of 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine?
2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine has a molecular weight of 237.33 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-ylsulfanyl)ethoxy]ethanamine is sourced from PubChem (CID 22675414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).