4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

C23H26N4O3 — CID 46650781

IUPAC4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C23H26N4O3/c28-21-15-25-23(30)27(21)16-17-8-10-19(11-9-17)22(29)24-14-20(26-12-4-5-13-26)18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-16H2,(H,24,29)(H,25,30)
InChIKeyGNCBIHBVLRNWOA-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.31
Rot. Bonds7

About 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide

4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 46650781) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID46650781
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C23H26N4O3/c28-21-15-25-23(30)27(21)16-17-8-10-19(11-9-17)22(29)24-14-20(26-12-4-5-13-26)18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-16H2,(H,24,29)(H,25,30)
InChIKeyGNCBIHBVLRNWOA-UHFFFAOYSA-N
XLogP2.31
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 45351971
4-(acetamidomethyl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 31331095
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 46520082
5-chloro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 30334540
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 17485480
2-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42893512
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 41048405
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
benzyl 4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 17454076

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide (CID 46650781) is 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is O=C(NCC(c1ccccc1)N1CCCC1)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is GNCBIHBVLRNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21-15-25-23(30)27(21)16-17-8-10-19(11-9-17)22(29)24-14-20(26-12-4-5-13-26)18-6-2-1-3-7-18/h1-3,6-11,20H,4-5,12-16H2,(H,24,29)(H,25,30).
What are the key properties of 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide?
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 406.49 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 46650781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).