4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one

C17H23N3O2 — CID 17002489

IUPAC4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCOCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-3-19-12-13(11-16(19)21)17-18-14-7-5-6-8-15(14)20(17)9-10-22-4-2/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyIDIWPALRNQDBOE-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds6

About 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one

4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (PubChem CID 17002489) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
PubChem CID17002489
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
SMILESCCOCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C17H23N3O2/c1-3-19-12-13(11-16(19)21)17-18-14-7-5-6-8-15(14)20(17)9-10-22-4-2/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyIDIWPALRNQDBOE-UHFFFAOYSA-N
XLogP2.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002423
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
(4S)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 35179943
(4S)-4-[1-(2-cyclohexylethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 40841216
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002482
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964844
(4S)-1-ethyl-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 25345296

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The IUPAC name of 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one (CID 17002489) is 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The canonical SMILES for 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is CCOCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21.
What is the InChIKey of 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
The InChIKey is IDIWPALRNQDBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-19-12-13(11-16(19)21)17-18-14-7-5-6-8-15(14)20(17)9-10-22-4-2/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one?
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one is sourced from PubChem (CID 17002489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).