3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide

C18H17N3O3 — CID 11023741

IUPAC3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-18(15(22)19-14-10-6-3-7-11-14)16(23)20-17(24)21(18)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,22)(H,20,23,24)
InChIKeyNGNSYXNQLHKFIU-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.14
Rot. Bonds4

About 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide

3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide (PubChem CID 11023741) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
PubChem CID11023741
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide
SMILESCC1(C(=O)Nc2ccccc2)C(=O)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17N3O3/c1-18(15(22)19-14-10-6-3-7-11-14)16(23)20-17(24)21(18)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,22)(H,20,23,24)
InChIKeyNGNSYXNQLHKFIU-UHFFFAOYSA-N
XLogP2.14
TPSA78.51 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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide?
The IUPAC name of 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide (CID 11023741) is 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide.
What is the SMILES notation for 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide?
The canonical SMILES for 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide is CC1(C(=O)Nc2ccccc2)C(=O)NC(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide?
The InChIKey is NGNSYXNQLHKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-18(15(22)19-14-10-6-3-7-11-14)16(23)20-17(24)21(18)12-13-8-4-2-5-9-13/h2-11H,12H2,1H3,(H,19,22)(H,20,23,24).
What are the key properties of 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide?
3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-methyl-2,5-dioxo-N-phenylimidazolidine-4-carboxamide is sourced from PubChem (CID 11023741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).