N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C23H26N4O2 — CID 51273849

IUPACN-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-22-15-19(16-26(22)14-11-18-7-2-1-3-8-18)23(29)24-12-6-13-27-17-25-20-9-4-5-10-21(20)27/h1-5,7-10,17,19H,6,11-16H2,(H,24,29)
InChIKeyGNWCYTYSMYIFQX-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.63
Rot. Bonds8

About N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 51273849) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID51273849
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCCn1cnc2ccccc21)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C23H26N4O2/c28-22-15-19(16-26(22)14-11-18-7-2-1-3-8-18)23(29)24-12-6-13-27-17-25-20-9-4-5-10-21(20)27/h1-5,7-10,17,19H,6,11-16H2,(H,24,29)
InChIKeyGNWCYTYSMYIFQX-UHFFFAOYSA-N
XLogP2.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 24553343
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 94423103
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187065
N-[3-(dimethylamino)propyl]-5-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185267
(5S)-N-[3-(benzimidazol-1-yl)propyl]-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 94035740
1-(benzenesulfonyl)-N-[3-(benzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 55408023
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 51273849) is N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is O=C(NCCCn1cnc2ccccc21)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is GNWCYTYSMYIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-22-15-19(16-26(22)14-11-18-7-2-1-3-8-18)23(29)24-12-6-13-27-17-25-20-9-4-5-10-21(20)27/h1-5,7-10,17,19H,6,11-16H2,(H,24,29).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 51273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).