3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C18H19N3O4 — CID 52844517

IUPAC3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCc1cc([C@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)c(C)o1
InChIInChI=1S/C18H19N3O4/c1-10-7-14(11(2)25-10)18(3)16(23)21(17(24)20-18)9-12-5-4-6-13(8-12)15(19)22/h4-8H,9H2,1-3H3,(H2,19,22)(H,20,24)/t18-/m0/s1
InChIKeyYTFGOHPBNIQKFR-SFHVURJKSA-N
MW341.37 g/mol
LogP1.96
Rot. Bonds4

About 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 52844517) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID52844517
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCc1cc([C@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)c(C)o1
InChIInChI=1S/C18H19N3O4/c1-10-7-14(11(2)25-10)18(3)16(23)21(17(24)20-18)9-12-5-4-6-13(8-12)15(19)22/h4-8H,9H2,1-3H3,(H2,19,22)(H,20,24)/t18-/m0/s1
InChIKeyYTFGOHPBNIQKFR-SFHVURJKSA-N
XLogP1.96
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 52844517) is 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is Cc1cc([C@]2(C)NC(=O)N(Cc3cccc(C(N)=O)c3)C2=O)c(C)o1.
What is the InChIKey of 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is YTFGOHPBNIQKFR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-10-7-14(11(2)25-10)18(3)16(23)21(17(24)20-18)9-12-5-4-6-13(8-12)15(19)22/h4-8H,9H2,1-3H3,(H2,19,22)(H,20,24)/t18-/m0/s1.
What are the key properties of 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4S)-4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 52844517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).