1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one

C33H33N3O3 — CID 18889360

IUPAC1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2CCCCOc2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C33H33N3O3/c1-2-38-31-16-8-7-15-30(31)36-23-26(22-32(36)37)33-34-28-13-5-6-14-29(28)35(33)19-9-10-20-39-27-18-17-24-11-3-4-12-25(24)21-27/h3-8,11-18,21,26H,2,9-10,19-20,22-23H2,1H3
InChIKeyWHRDSJXLTRCZFB-UHFFFAOYSA-N
MW519.65 g/mol
LogP6.97
Rot. Bonds10

About 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889360) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889360
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC Name1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2CCCCOc2ccc3ccccc3c2)CC1=O
InChIInChI=1S/C33H33N3O3/c1-2-38-31-16-8-7-15-30(31)36-23-26(22-32(36)37)33-34-28-13-5-6-14-29(28)35(33)19-9-10-20-39-27-18-17-24-11-3-4-12-25(24)21-27/h3-8,11-18,21,26H,2,9-10,19-20,22-23H2,1H3
InChIKeyWHRDSJXLTRCZFB-UHFFFAOYSA-N
XLogP6.97
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 56.97
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-ethoxyphenyl)-4-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003765
(4S)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698811
(4R)-1-(2-ethoxyphenyl)-4-(1-hexylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698809
(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889343
4-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003707
(4S)-1-(2-methoxyphenyl)-4-[1-(4-phenoxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40812287
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407
(4R)-1-(2-ethoxyphenyl)-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40964397
1-(3,5-dimethylphenyl)-4-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004244
1-(2-ethoxyphenyl)-4-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003743

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889360) is 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one is CCOc1ccccc1N1CC(c2nc3ccccc3n2CCCCOc2ccc3ccccc3c2)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is WHRDSJXLTRCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-2-38-31-16-8-7-15-30(31)36-23-26(22-32(36)37)33-34-28-13-5-6-14-29(28)35(33)19-9-10-20-39-27-18-17-24-11-3-4-12-25(24)21-27/h3-8,11-18,21,26H,2,9-10,19-20,22-23H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 519.65 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).