1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole

C20H22N4O2 — CID 2871878

IUPAC1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOCCOCCn1cnc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-3-7-19-17(5-1)21-15-23(19)9-11-25-13-14-26-12-10-24-16-22-18-6-2-4-8-20(18)24/h1-8,15-16H,9-14H2
InChIKeyLUVGTEKPBVDUNT-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds9

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

1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole (PubChem CID 2871878) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
PubChem CID2871878
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOCCOCCn1cnc2ccccc21
InChIInChI=1S/C20H22N4O2/c1-3-7-19-17(5-1)21-15-23(19)9-11-25-13-14-26-12-10-24-16-22-18-6-2-4-8-20(18)24/h1-8,15-16H,9-14H2
InChIKeyLUVGTEKPBVDUNT-UHFFFAOYSA-N
XLogP3.12
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644
1-[2-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 90666547
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[2-[2-(2-nitrophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
CID 2965855
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117
2-(benzimidazol-1-yl)ethyl 2-methylpropanoate
CID 166930267
1-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]ethyl]benzimidazole
CID 139918381
1-[2-[2-(4-bromo-2-chlorophenoxy)ethoxy]ethyl]benzimidazole;oxalic acid
CID 2965818
1-[2-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
CID 71494815

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole?
The IUPAC name of 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole (CID 2871878) is 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole?
The canonical SMILES for 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole is c1ccc2c(c1)ncn2CCOCCOCCn1cnc2ccccc21.
What is the InChIKey of 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole?
The InChIKey is LUVGTEKPBVDUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-7-19-17(5-1)21-15-23(19)9-11-25-13-14-26-12-10-24-16-22-18-6-2-4-8-20(18)24/h1-8,15-16H,9-14H2.
What are the key properties of 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole?
1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole has a molecular weight of 350.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole is sourced from PubChem (CID 2871878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).