N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

C15H21N5O3 — CID 95220953

About N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 95220953) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• PubChem CID: 95220953
• Molecular Formula: C15H21N5O3
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.16
• IUPAC Name: N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide
• SMILES: Cn1ccnc1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CC1
• InChI: InChI=1S/C15H21N5O3/c1-15(2)13(22)18-14(23)20(15)8-10(21)17-11(9-4-5-9)12-16-6-7-19(12)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,21)(H,18,22,23)/t11-/m1/s1
• InChIKey: CRPNJVZDICUMTH-LLVKDONJSA-N
• XLogP: 0.32
• TPSA: 96.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide?

The IUPAC name of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide (CID 95220953) is N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide.

What is the SMILES notation for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide?

The canonical SMILES for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide is Cn1ccnc1[C@H](NC(=O)CN1C(=O)NC(=O)C1(C)C)C1CC1.

What is the InChIKey of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide?

The InChIKey is CRPNJVZDICUMTH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2)13(22)18-14(23)20(15)8-10(21)17-11(9-4-5-9)12-16-6-7-19(12)3/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,21)(H,18,22,23)/t11-/m1/s1.

What are the key properties of N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide?

N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 319.37 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 95220953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).