1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one

C31H51N3O — CID 17002392

IUPAC1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C31H51N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-29-23-20-19-22-28(29)32-31(34)27-25-30(35)33(4-2)26-27/h19-20,22-23,27H,3-18,21,24-26H2,1-2H3
InChIKeyNIPKKUFDYCDVSC-UHFFFAOYSA-N
MW481.77 g/mol
LogP8.63
Rot. Bonds19

About 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one

1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 17002392) has the molecular formula C31H51N3O and a molecular weight of 481.77 g/mol. Its IUPAC name is 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID17002392
Molecular FormulaC31H51N3O
Molecular Weight481.77 g/mol
Exact Mass481.40
IUPAC Name1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21
InChIInChI=1S/C31H51N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-29-23-20-19-22-28(29)32-31(34)27-25-30(35)33(4-2)26-27/h19-20,22-23,27H,3-18,21,24-26H2,1-2H3
InChIKeyNIPKKUFDYCDVSC-UHFFFAOYSA-N
XLogP8.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.77
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-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

1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-butyl-4-(1-butylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16615336
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
1-[(4-fluorophenyl)methyl]-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005570
1-ethyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17002382
4-(1-decylbenzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 19242754
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
1-butyl-4-[1-[5-(2,6-dimethylphenyl)pentyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 129255816
4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-ethylpyrrolidin-2-one
CID 17002489
1-cyclopropyl-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965049

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one (CID 17002392) is 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is CCCCCCCCCCCCCCCCCCn1c(C2CC(=O)N(CC)C2)nc2ccccc21.
What is the InChIKey of 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is NIPKKUFDYCDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-34-29-23-20-19-22-28(29)32-31(34)27-25-30(35)33(4-2)26-27/h19-20,22-23,27H,3-18,21,24-26H2,1-2H3.
What are the key properties of 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one?
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 481.77 g/mol, XLogP of 8.63, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 17002392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).