4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one

C24H29N3O — CID 16964563

IUPAC4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-3-4-10-15-26-22-14-9-8-13-21(22)25-24(26)20-16-23(28)27(17-20)18(2)19-11-6-5-7-12-19/h5-9,11-14,18,20H,3-4,10,15-17H2,1-2H3
InChIKeyRZTGXVIKMMEMCL-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.30
Rot. Bonds7

About 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one

4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 16964563) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID16964563
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O/c1-3-4-10-15-26-22-14-9-8-13-21(22)25-24(26)20-16-23(28)27(17-20)18(2)19-11-6-5-7-12-19/h5-9,11-14,18,20H,3-4,10,15-17H2,1-2H3
InChIKeyRZTGXVIKMMEMCL-UHFFFAOYSA-N
XLogP5.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964661
4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964652
N-butyl-N-methyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964688
1-(1-phenylethyl)-4-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964635
4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964629
4-(1-phenacylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964707
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
4-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964651
4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964663
4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 16964630
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391

Frequently Asked Questions

What is the IUPAC name of 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one (CID 16964563) is 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one is CCCCCn1c(C2CC(=O)N(C(C)c3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is RZTGXVIKMMEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-3-4-10-15-26-22-14-9-8-13-21(22)25-24(26)20-16-23(28)27(17-20)18(2)19-11-6-5-7-12-19/h5-9,11-14,18,20H,3-4,10,15-17H2,1-2H3.
What are the key properties of 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one?
4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 375.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentylbenzimidazol-2-yl)-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 16964563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).