4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one

C29H30ClN3O2 — CID 17003223

IUPAC4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O
InChIInChI=1S/C29H30ClN3O2/c1-20-10-9-11-21(2)28(20)33-19-22(18-27(33)34)29-31-24-13-4-5-14-25(24)32(29)16-7-8-17-35-26-15-6-3-12-23(26)30/h3-6,9-15,22H,7-8,16-19H2,1-2H3
InChIKeyXLGLXFXTQLUJGD-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.69
Rot. Bonds8

About 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one

4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one (PubChem CID 17003223) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
PubChem CID17003223
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O
InChIInChI=1S/C29H30ClN3O2/c1-20-10-9-11-21(2)28(20)33-19-22(18-27(33)34)29-31-24-13-4-5-14-25(24)32(29)16-7-8-17-35-26-15-6-3-12-23(26)30/h3-6,9-15,22H,7-8,16-19H2,1-2H3
InChIKeyXLGLXFXTQLUJGD-UHFFFAOYSA-N
XLogP6.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one
CID 17003170
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003706
4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 17004230
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
(4S)-1-(2,6-dimethylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 27407290
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
(4S)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40792554
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 17003473
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 18878745
4-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002581

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one (CID 17003223) is 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one is Cc1cccc(C)c1N1CC(c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O.
What is the InChIKey of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is XLGLXFXTQLUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-20-10-9-11-21(2)28(20)33-19-22(18-27(33)34)29-31-24-13-4-5-14-25(24)32(29)16-7-8-17-35-26-15-6-3-12-23(26)30/h3-6,9-15,22H,7-8,16-19H2,1-2H3.
What are the key properties of 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one?
4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 488.03 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2,6-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).