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

C18H17N3O3 — CID 55631679

IUPAC3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H17N3O3/c1-18(14-8-3-2-4-9-14)16(23)21(17(24)20-18)11-12-6-5-7-13(10-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24)
InChIKeyAKLWWRKKOHELST-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.75
Rot. Bonds4

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

3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (PubChem CID 55631679) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
PubChem CID55631679
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
SMILESCC1(c2ccccc2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O
InChIInChI=1S/C18H17N3O3/c1-18(14-8-3-2-4-9-14)16(23)21(17(24)20-18)11-12-6-5-7-13(10-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24)
InChIKeyAKLWWRKKOHELST-UHFFFAOYSA-N
XLogP1.75
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.75
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-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 55631250
(5S)-5-methyl-3-[(3-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7177858
3-[1-(3-benzylsulfanylpropyl)-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
CID 154751330
N-(furan-2-ylmethyl)-3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 60529812
5-methyl-5-phenyl-3-[(3-phenylmethoxyphenyl)methyl]imidazolidine-2,4-dione
CID 60603827
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
methyl 3-[[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 41135174
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 4804422
(5S)-3-benzyl-5-(3-bromophenyl)-5-methylimidazolidine-2,4-dione
CID 7178046
(5S)-3-benzyl-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 51463779

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The IUPAC name of 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide (CID 55631679) is 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is CC1(c2ccccc2)NC(=O)N(Cc2cccc(C(N)=O)c2)C1=O.
What is the InChIKey of 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
The InChIKey is AKLWWRKKOHELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-18(14-8-3-2-4-9-14)16(23)21(17(24)20-18)11-12-6-5-7-13(10-12)15(19)22/h2-10H,11H2,1H3,(H2,19,22)(H,20,24).
What are the key properties of 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide?
3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide has a molecular weight of 323.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 55631679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).