1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

C32H31N3O3 — CID 18889343

IUPAC1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CC1=O
InChIInChI=1S/C32H31N3O3/c1-2-37-30-17-8-7-16-28(30)35-22-24(21-31(35)36)32-33-26-14-5-6-15-27(26)34(32)19-10-20-38-29-18-9-12-23-11-3-4-13-25(23)29/h3-9,11-18,24H,2,10,19-22H2,1H3
InChIKeyMQMPRQZNSVHWRJ-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.58
Rot. Bonds9

About 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 18889343) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID18889343
Molecular FormulaC32H31N3O3
Molecular Weight505.62 g/mol
Exact Mass505.24
IUPAC Name1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCCOc1ccccc1N1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CC1=O
InChIInChI=1S/C32H31N3O3/c1-2-37-30-17-8-7-16-28(30)35-22-24(21-31(35)36)32-33-26-14-5-6-15-27(26)34(32)19-10-20-38-29-18-9-12-23-11-3-4-13-25(23)29/h3-9,11-18,24H,2,10,19-22H2,1H3
InChIKeyMQMPRQZNSVHWRJ-UHFFFAOYSA-N
XLogP6.58
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.58
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

(4S)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40698817
(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
1-(2-ethoxyphenyl)-4-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003765
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 18811327
1-(2-ethoxyphenyl)-4-[1-(4-naphthalen-2-yloxybutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889360
(4R)-1-(2-ethoxyphenyl)-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40964397
4-[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 17003746
(4S)-1-(2-ethoxyphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7220273
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889144
1-(4-chlorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889085
(4S)-4-[1-[2-[2-[(2R)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 40964395

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 18889343) is 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is CCOc1ccccc1N1CC(c2nc3ccccc3n2CCCOc2cccc3ccccc23)CC1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is MQMPRQZNSVHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-2-37-30-17-8-7-16-28(30)35-22-24(21-31(35)36)32-33-26-14-5-6-15-27(26)34(32)19-10-20-38-29-18-9-12-23-11-3-4-13-25(23)29/h3-9,11-18,24H,2,10,19-22H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 505.62 g/mol, XLogP of 6.58, 9 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-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18889343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).