4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one

C32H37N3O2 — CID 16964651

IUPAC4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CCCOc2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C32H37N3O2/c1-23(24-11-6-5-7-12-24)35-22-25(21-30(35)36)31-33-28-13-8-9-14-29(28)34(31)19-10-20-37-27-17-15-26(16-18-27)32(2,3)4/h5-9,11-18,23,25H,10,19-22H2,1-4H3
InChIKeyMSBUGOSPZYBOSO-UHFFFAOYSA-N
MW495.67 g/mol
LogP6.88
Rot. Bonds8

About 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one

4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 16964651) has the molecular formula C32H37N3O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID16964651
Molecular FormulaC32H37N3O2
Molecular Weight495.67 g/mol
Exact Mass495.29
IUPAC Name4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(c1ccccc1)N1CC(c2nc3ccccc3n2CCCOc2ccc(C(C)(C)C)cc2)CC1=O
InChIInChI=1S/C32H37N3O2/c1-23(24-11-6-5-7-12-24)35-22-25(21-30(35)36)31-33-28-13-8-9-14-29(28)34(31)19-10-20-37-27-17-15-26(16-18-27)32(2,3)4/h5-9,11-18,23,25H,10,19-22H2,1-4H3
InChIKeyMSBUGOSPZYBOSO-UHFFFAOYSA-N
XLogP6.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 56.88
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-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964652
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964629
1-(1-phenylethyl)-4-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964635
4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964563
4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964630
4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964661
4-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]-1-methylpyrrolidin-2-one
CID 17002287
4-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002601
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-(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-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964663

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 16964651) is 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one is CC(c1ccccc1)N1CC(c2nc3ccccc3n2CCCOc2ccc(C(C)(C)C)cc2)CC1=O.
What is the InChIKey of 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is MSBUGOSPZYBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O2/c1-23(24-11-6-5-7-12-24)35-22-25(21-30(35)36)31-33-28-13-8-9-14-29(28)34(31)19-10-20-37-27-17-15-26(16-18-27)32(2,3)4/h5-9,11-18,23,25H,10,19-22H2,1-4H3.
What are the key properties of 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 495.67 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 16964651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).