1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole

C14H24N2O3 — CID 116626321

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCOCCOCCOCCn1cnc2c1CCCC2
InChIInChI=1S/C14H24N2O3/c1-17-8-9-19-11-10-18-7-6-16-12-15-13-4-2-3-5-14(13)16/h12H,2-11H2,1H3
InChIKeyLBGQYAVQFCQBCW-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.44
Rot. Bonds9

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole

1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626321) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626321
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole
SMILESCOCCOCCOCCn1cnc2c1CCCC2
InChIInChI=1S/C14H24N2O3/c1-17-8-9-19-11-10-18-7-6-16-12-15-13-4-2-3-5-14(13)16/h12H,2-11H2,1H3
InChIKeyLBGQYAVQFCQBCW-UHFFFAOYSA-N
XLogP1.44
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole (CID 116626321) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole is COCCOCCOCCn1cnc2c1CCCC2.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is LBGQYAVQFCQBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-17-8-9-19-11-10-18-7-6-16-12-15-13-4-2-3-5-14(13)16/h12H,2-11H2,1H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 268.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).