1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

C24H29N3O3 — CID 17003806

IUPAC1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)25-24(26)17-14-23(28)27(16-17)21-15-18(29-2)11-12-22(21)30-3/h6-7,9-12,15,17H,4-5,8,13-14,16H2,1-3H3
InChIKeyVGZUPIYCOOTUJY-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.76
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 17003806) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID17003806
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C24H29N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)25-24(26)17-14-23(28)27(16-17)21-15-18(29-2)11-12-22(21)30-3/h6-7,9-12,15,17H,4-5,8,13-14,16H2,1-3H3
InChIKeyVGZUPIYCOOTUJY-UHFFFAOYSA-N
XLogP4.76
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
1-(2-methoxyphenyl)-4-(1-tetradecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 4754533
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003877
1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003802
1-(2,5-dimethoxyphenyl)-4-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003856
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003872
1-(2,5-dimethoxyphenyl)-4-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003889
(4R)-1-(2,5-dimethoxyphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814702
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387
1-(2,5-dimethoxyphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754285
(4R)-1-(2,5-dimethoxyphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7080640

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one (CID 17003806) is 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is VGZUPIYCOOTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-5-8-13-26-20-10-7-6-9-19(20)25-24(26)17-14-23(28)27(16-17)21-15-18(29-2)11-12-22(21)30-3/h6-7,9-12,15,17H,4-5,8,13-14,16H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 407.51 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 17003806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).