4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide

C20H21N3O3 — CID 40820348

IUPAC4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C20H21N3O3/c1-2-12-20(16-6-4-3-5-7-16)18(25)23(19(26)22-20)13-14-8-10-15(11-9-14)17(21)24/h3-11H,2,12-13H2,1H3,(H2,21,24)(H,22,26)/t20-/m1/s1
InChIKeyGDBVZMHUXLCIIR-HXUWFJFHSA-N
MW351.41 g/mol
LogP2.53
Rot. Bonds6

About 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide

4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide (PubChem CID 40820348) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
PubChem CID40820348
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C20H21N3O3/c1-2-12-20(16-6-4-3-5-7-16)18(25)23(19(26)22-20)13-14-8-10-15(11-9-14)17(21)24/h3-11H,2,12-13H2,1H3,(H2,21,24)(H,22,26)/t20-/m1/s1
InChIKeyGDBVZMHUXLCIIR-HXUWFJFHSA-N
XLogP2.53
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-N-hydroxybenzamide
CID 164617546
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
(5S)-3-[(4-tert-butylphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 25465314
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
(5S)-3-[(3-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7986927
N-benzyl-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-phenylacetamide
CID 24566030
(5R)-3-[(2-fluorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585387
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
(5S)-3-(3-chloroprop-2-enyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 7041273
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetonitrile
CID 2585411
3-(2,3-dihydroxybutyl)-5-phenyl-5-propylimidazolidine-2,4-dione
CID 136574650

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide (CID 40820348) is 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide is CCC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide?
The InChIKey is GDBVZMHUXLCIIR-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-12-20(16-6-4-3-5-7-16)18(25)23(19(26)22-20)13-14-8-10-15(11-9-14)17(21)24/h3-11H,2,12-13H2,1H3,(H2,21,24)(H,22,26)/t20-/m1/s1.
What are the key properties of 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide?
4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 40820348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).