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

C29H39N3O3 — CID 17003811

IUPAC4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCCCCCCCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-10-13-18-31-25-15-12-11-14-24(25)30-29(31)22-19-28(33)32(21-22)26-20-23(34-2)16-17-27(26)35-3/h11-12,14-17,20,22H,4-10,13,18-19,21H2,1-3H3
InChIKeyAWFFLHUKCNRHJK-UHFFFAOYSA-N
MW477.65 g/mol
LogP6.71
Rot. Bonds13

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

4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one (PubChem CID 17003811) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
PubChem CID17003811
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
SMILESCCCCCCCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
InChIInChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-10-13-18-31-25-15-12-11-14-24(25)30-29(31)22-19-28(33)32(21-22)26-20-23(34-2)16-17-27(26)35-3/h11-12,14-17,20,22H,4-10,13,18-19,21H2,1-3H3
InChIKeyAWFFLHUKCNRHJK-UHFFFAOYSA-N
XLogP6.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.71
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

1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
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-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387
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
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(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-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 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one (CID 17003811) is 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one is CCCCCCCCCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21.
What is the InChIKey of 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
The InChIKey is AWFFLHUKCNRHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-4-5-6-7-8-9-10-13-18-31-25-15-12-11-14-24(25)30-29(31)22-19-28(33)32(21-22)26-20-23(34-2)16-17-27(26)35-3/h11-12,14-17,20,22H,4-10,13,18-19,21H2,1-3H3.
What are the key properties of 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one?
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one has a molecular weight of 477.65 g/mol, XLogP of 6.71, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).