3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole

C17H27N3O2 — CID 141196850

IUPAC3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
SMILESCCOCCOCCN1CCC(N2CNc3ccccc32)C1
InChIInChI=1S/C17H27N3O2/c1-2-21-11-12-22-10-9-19-8-7-15(13-19)20-14-18-16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3
InChIKeyBMGRGXILEYVOOW-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.00
Rot. Bonds8

About 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole

3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole (PubChem CID 141196850) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
PubChem CID141196850
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole
SMILESCCOCCOCCN1CCC(N2CNc3ccccc32)C1
InChIInChI=1S/C17H27N3O2/c1-2-21-11-12-22-10-9-19-8-7-15(13-19)20-14-18-16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3
InChIKeyBMGRGXILEYVOOW-UHFFFAOYSA-N
XLogP2.00
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(2-ethoxyethoxy)ethyl]piperidin-4-yl]-2,3-dihydro-1H-indole
CID 141196849
2-[4-[3-(2-ethoxyethyl)-1,2-dihydrobenzimidazol-2-yl]piperidin-1-yl]ethanol
CID 121465816
3-(1-benzhydrylpiperidin-4-yl)-1,2-dihydrobenzimidazole
CID 141033629
4-(2-propoxyethyl)-2,3-dihydro-1H-quinoxaline
CID 106453436
6-[4-(2,3-dihydrobenzimidazol-1-yl)piperidin-1-yl]-8-ethyl-9-methylpurine
CID 123318235
3-(2-ethoxyethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81490383
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
2-[4-(2-ethoxyethyl)piperazin-1-yl]aniline
CID 43384244
(4aR,8aR)-2-(2-ethoxyethyl)-6-(2-methoxyethyl)-1,3,4,4a,5,7,8,8a-octahydro-2,6-naphthyridine
CID 177178896
1-(2-ethoxyethyl)-3-fluoropiperidine
CID 177032761
[(3S)-1-(2-ethoxyethyl)pyrrolidin-3-yl]methanol
CID 129367814
4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 103180257

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole (CID 141196850) is 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole is CCOCCOCCN1CCC(N2CNc3ccccc32)C1.
What is the InChIKey of 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole?
The InChIKey is BMGRGXILEYVOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-2-21-11-12-22-10-9-19-8-7-15(13-19)20-14-18-16-5-3-4-6-17(16)20/h3-6,15,18H,2,7-14H2,1H3.
What are the key properties of 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole?
3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole has a molecular weight of 305.42 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-ethoxyethoxy)ethyl]pyrrolidin-3-yl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 141196850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).