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

C18H18N4O — CID 5190432

IUPAC1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOCCn1cnc2ccccc21
InChIInChI=1S/C18H18N4O/c1-3-7-17-15(5-1)19-13-21(17)9-11-23-12-10-22-14-20-16-6-2-4-8-18(16)22/h1-8,13-14H,9-12H2
InChIKeyPPELCFMQCSHFPJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds6

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

1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole (PubChem CID 5190432) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
PubChem CID5190432
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
SMILESc1ccc2c(c1)ncn2CCOCCn1cnc2ccccc21
InChIInChI=1S/C18H18N4O/c1-3-7-17-15(5-1)19-13-21(17)9-11-23-12-10-22-14-20-16-6-2-4-8-18(16)22/h1-8,13-14H,9-12H2
InChIKeyPPELCFMQCSHFPJ-UHFFFAOYSA-N
XLogP3.10
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
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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Related Compounds

1-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl]benzimidazole
CID 2871878
1-[2-(3-methylbut-2-enoxy)ethyl]benzimidazole
CID 140992644
2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethyl methyl carbonate
CID 58743695
4-[[4-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]piperazin-1-yl]methyl]phenol
CID 139918365
1-[2-[2-[2-[2-(benzimidazol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-N,N-dimethylpyridin-1-ium-4-amine
CID 90666547
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
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-[1-[2-[2-(benzimidazol-1-yl)ethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl]benzimidazole
CID 71494815
1-(6-chlorohexyl)benzimidazole
CID 62228178
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole?
The IUPAC name of 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole (CID 5190432) is 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole.
What is the SMILES notation for 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole?
The canonical SMILES for 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole is c1ccc2c(c1)ncn2CCOCCn1cnc2ccccc21.
What is the InChIKey of 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole?
The InChIKey is PPELCFMQCSHFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-3-7-17-15(5-1)19-13-21(17)9-11-23-12-10-22-14-20-16-6-2-4-8-18(16)22/h1-8,13-14H,9-12H2.
What are the key properties of 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole?
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole has a molecular weight of 306.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole is sourced from PubChem (CID 5190432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).