N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide

C23H21N3O4 — CID 60529812

IUPACN-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O
InChIInChI=1S/C23H21N3O4/c1-23(18-9-3-2-4-10-18)21(28)26(22(29)25-23)15-16-7-5-8-17(13-16)20(27)24-14-19-11-6-12-30-19/h2-13H,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyWTHYBSXNQXVYQQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.18
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide

N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (PubChem CID 60529812) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
PubChem CID60529812
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O
InChIInChI=1S/C23H21N3O4/c1-23(18-9-3-2-4-10-18)21(28)26(22(29)25-23)15-16-7-5-8-17(13-16)20(27)24-14-19-11-6-12-30-19/h2-13H,14-15H2,1H3,(H,24,27)(H,25,29)
InChIKeyWTHYBSXNQXVYQQ-UHFFFAOYSA-N
XLogP3.18
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.18
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

3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 47061689
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
N-(furan-2-ylmethyl)-3-[(6-methyl-4-oxoquinazolin-3-yl)methyl]benzamide
CID 47061690
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 2705893
(5R)-3-benzyl-5-(furan-2-yl)-5-methylimidazolidine-2,4-dione
CID 51462112

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (CID 60529812) is N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is CC1(c2ccccc2)NC(=O)N(Cc2cccc(C(=O)NCc3ccco3)c2)C1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The InChIKey is WTHYBSXNQXVYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-23(18-9-3-2-4-10-18)21(28)26(22(29)25-23)15-16-7-5-8-17(13-16)20(27)24-14-19-11-6-12-30-19/h2-13H,14-15H2,1H3,(H,24,27)(H,25,29).
What are the key properties of N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 60529812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).