4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one

C31H35N3O2 — CID 16964661

IUPAC4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1OCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C31H35N3O2/c1-22-12-11-13-23(2)30(22)36-19-10-9-18-33-28-17-8-7-16-27(28)32-31(33)26-20-29(35)34(21-26)24(3)25-14-5-4-6-15-25/h4-8,11-17,24,26H,9-10,18-21H2,1-3H3
InChIKeyDRLGZKOUZGXBKA-UHFFFAOYSA-N
MW481.64 g/mol
LogP6.59
Rot. Bonds9

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

4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 16964661) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID16964661
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1OCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C31H35N3O2/c1-22-12-11-13-23(2)30(22)36-19-10-9-18-33-28-17-8-7-16-27(28)32-31(33)26-20-29(35)34(21-26)24(3)25-14-5-4-6-15-25/h4-8,11-17,24,26H,9-10,18-21H2,1-3H3
InChIKeyDRLGZKOUZGXBKA-UHFFFAOYSA-N
XLogP6.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.64
LogP ≤ 56.59
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-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)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-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964629
4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964630
4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964563
4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964663
4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964652
1-(1-phenylethyl)-4-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964635
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964617
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964651
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889370
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 17002662
4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964707
(4S)-4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40813705

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 16964661) is 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one is Cc1cccc(C)c1OCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is DRLGZKOUZGXBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c1-22-12-11-13-23(2)30(22)36-19-10-9-18-33-28-17-8-7-16-27(28)32-31(33)26-20-29(35)34(21-26)24(3)25-14-5-4-6-15-25/h4-8,11-17,24,26H,9-10,18-21H2,1-3H3.
What are the key properties of 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 481.64 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 16964661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).