4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide

C14H17N3O3 — CID 70432504

IUPAC4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESCC(C)CC1NC(=O)N(c2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)7-11-13(19)17(14(20)16-11)10-5-3-9(4-6-10)12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,16,20)
InChIKeyPERQVICRLOTEKS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.26
Rot. Bonds4

About 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide

4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide (PubChem CID 70432504) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
PubChem CID70432504
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide
SMILESCC(C)CC1NC(=O)N(c2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C14H17N3O3/c1-8(2)7-11-13(19)17(14(20)16-11)10-5-3-9(4-6-10)12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,16,20)
InChIKeyPERQVICRLOTEKS-UHFFFAOYSA-N
XLogP1.26
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The IUPAC name of 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide (CID 70432504) is 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The canonical SMILES for 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide is CC(C)CC1NC(=O)N(c2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
The InChIKey is PERQVICRLOTEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)7-11-13(19)17(14(20)16-11)10-5-3-9(4-6-10)12(15)18/h3-6,8,11H,7H2,1-2H3,(H2,15,18)(H,16,20).
What are the key properties of 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide?
4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]benzamide is sourced from PubChem (CID 70432504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).