4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

C24H29N3O2 — CID 17002287

IUPAC4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-24(2,3)18-9-11-19(12-10-18)29-14-13-27-21-8-6-5-7-20(21)25-23(27)17-15-22(28)26(4)16-17/h5-12,17H,13-16H2,1-4H3
InChIKeyHIZKGGVBEJWBIJ-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.36
Rot. Bonds5

About 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one

4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (PubChem CID 17002287) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
PubChem CID17002287
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
SMILESCN1CC(c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-24(2,3)18-9-11-19(12-10-18)29-14-13-27-21-8-6-5-7-20(21)25-23(27)17-15-22(28)26(4)16-17/h5-12,17H,13-16H2,1-4H3
InChIKeyHIZKGGVBEJWBIJ-UHFFFAOYSA-N
XLogP4.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-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-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 19242521
4-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002601
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889386
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 17005221
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964651
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 17003691
(4S)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7011289
(4R)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 40725103
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4R)-1-tert-butyl-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813376
(4R)-1-(3,5-dimethylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814672
1-(2,6-dimethylphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003176

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one (CID 17002287) is 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is CN1CC(c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O.
What is the InChIKey of 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
The InChIKey is HIZKGGVBEJWBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-24(2,3)18-9-11-19(12-10-18)29-14-13-27-21-8-6-5-7-20(21)25-23(27)17-15-22(28)26(4)16-17/h5-12,17H,13-16H2,1-4H3.
What are the key properties of 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one?
4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 17002287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).