4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one

C31H29N3O2 — CID 18811327

IUPAC4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESCc1ccccc1OCCCn1c(C2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21
InChIInChI=1S/C31H29N3O2/c1-22-10-2-7-17-29(22)36-19-9-18-33-28-15-6-5-14-26(28)32-31(33)24-20-30(35)34(21-24)27-16-8-12-23-11-3-4-13-25(23)27/h2-8,10-17,24H,9,18-21H2,1H3
InChIKeyGSVBLRJGLBCCSC-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.49
Rot. Bonds7

About 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one

4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one (PubChem CID 18811327) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
PubChem CID18811327
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one
SMILESCc1ccccc1OCCCn1c(C2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21
InChIInChI=1S/C31H29N3O2/c1-22-10-2-7-17-29(22)36-19-9-18-33-28-15-6-5-14-26(28)32-31(33)24-20-30(35)34(21-24)27-16-8-12-23-11-3-4-13-25(23)27/h2-8,10-17,24H,9,18-21H2,1H3
InChIKeyGSVBLRJGLBCCSC-UHFFFAOYSA-N
XLogP6.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.49
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

4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 17002662
1-(2-ethoxyphenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889343
(4S)-4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40813705
(4R)-1-(3-chlorophenyl)-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813580
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889384
1-(2,5-dimethoxyphenyl)-4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003848
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889370
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388
1-(3-chlorophenyl)-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889184
(4S)-1-(3-chlorophenyl)-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 92669606
1-naphthalen-1-yl-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 2958943

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one?
The IUPAC name of 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one (CID 18811327) is 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one is Cc1ccccc1OCCCn1c(C2CC(=O)N(c3cccc4ccccc34)C2)nc2ccccc21.
What is the InChIKey of 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one?
The InChIKey is GSVBLRJGLBCCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-22-10-2-7-17-29(22)36-19-9-18-33-28-15-6-5-14-26(28)32-31(33)24-20-30(35)34(21-24)27-16-8-12-23-11-3-4-13-25(23)27/h2-8,10-17,24H,9,18-21H2,1H3.
What are the key properties of 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one?
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one has a molecular weight of 475.59 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-naphthalen-1-ylpyrrolidin-2-one is sourced from PubChem (CID 18811327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).