2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate

C15H20N2O5 — CID 58743695

IUPAC2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
SMILESCOC(=O)OCCOCCOCCn1cnc2ccccc21
InChIInChI=1S/C15H20N2O5/c1-19-15(18)22-11-10-21-9-8-20-7-6-17-12-16-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3
InChIKeyUWQOPOKBTXZWAM-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.85
Rot. Bonds9

About 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate

2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate (PubChem CID 58743695) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate.

Molecular Properties

Compound Name2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
PubChem CID58743695
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
SMILESCOC(=O)OCCOCCOCCn1cnc2ccccc21
InChIInChI=1S/C15H20N2O5/c1-19-15(18)22-11-10-21-9-8-20-7-6-17-12-16-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3
InChIKeyUWQOPOKBTXZWAM-UHFFFAOYSA-N
XLogP1.85
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
CID 2965855
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644
methyl 3-(benzimidazol-1-yl)-2-phenylpropanoate
CID 64567462
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
ethyl 2-amino-4-(benzimidazol-1-yl)butanoate
CID 55144910
2-hydroxyethyl 3-(benzimidazol-1-yl)propanoate
CID 54016386
2-(benzimidazol-1-yl)ethyl (4-nitrophenyl) carbonate
CID 143009137

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate?
The IUPAC name of 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate (CID 58743695) is 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate.
What is the SMILES notation for 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate?
The canonical SMILES for 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate is COC(=O)OCCOCCOCCn1cnc2ccccc21.
What is the InChIKey of 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate?
The InChIKey is UWQOPOKBTXZWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-19-15(18)22-11-10-21-9-8-20-7-6-17-12-16-13-4-2-3-5-14(13)17/h2-5,12H,6-11H2,1H3.
What are the key properties of 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate?
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate has a molecular weight of 308.33 g/mol, XLogP of 1.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate is sourced from PubChem (CID 58743695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).