2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine

C14H21N3OS — CID 55126749

IUPAC2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCCOCCNCCSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-3-18-8-6-15-7-9-19-14-16-12-5-4-11(2)10-13(12)17-14/h4-5,10,15H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyHQSWZKZCNUAETL-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.59
Rot. Bonds8

About 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine

2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine (PubChem CID 55126749) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
PubChem CID55126749
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine
SMILESCCOCCNCCSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C14H21N3OS/c1-3-18-8-6-15-7-9-19-14-16-12-5-4-11(2)10-13(12)17-14/h4-5,10,15H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyHQSWZKZCNUAETL-UHFFFAOYSA-N
XLogP2.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.59
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

6-methyl-2-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentylsulfanyl]-1H-benzimidazole
CID 21043453
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2-ethylsulfanyl-6-methyl-1H-benzimidazole
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N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]hexan-3-amine
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N-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
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2-(2-azidoethylsulfanyl)-6-methyl-1H-benzimidazole
CID 62874259
6-methyl-2-(2-naphthalen-2-yloxyethylsulfanyl)-1H-benzimidazole
CID 18879551
1-methoxy-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-2-amine
CID 107511384
ethyl 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-oxopropanoate
CID 69139924
ethyl 2-amino-3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoate
CID 62875441
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-propylpropan-1-amine
CID 61385799

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine?
The IUPAC name of 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine (CID 55126749) is 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine is CCOCCNCCSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine?
The InChIKey is HQSWZKZCNUAETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-18-8-6-15-7-9-19-14-16-12-5-4-11(2)10-13(12)17-14/h4-5,10,15H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine?
2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine has a molecular weight of 279.41 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethyl]ethanamine is sourced from PubChem (CID 55126749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).