N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C25H29N5O4 — CID 92786885

About N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 92786885) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• PubChem CID: 92786885
• Molecular Formula: C25H29N5O4
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.22
• IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
• SMILES: COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)C2=O)cc1
• InChI: InChI=1S/C25H29N5O4/c1-15(2)13-20(22-27-18-7-5-6-8-19(18)28-22)26-21(31)14-30-23(32)25(3,29-24(30)33)16-9-11-17(34-4)12-10-16/h5-12,15,20H,13-14H2,1-4H3,(H,26,31)(H,27,28)(H,29,33)/t20-,25-/m1/s1
• InChIKey: DXKHFMCANYPZAF-CJFMBICVSA-N
• XLogP: 3.24
• TPSA: 116.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	3
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-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The IUPAC name of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 92786885) is N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

What is the SMILES notation for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The canonical SMILES for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)C2=O)cc1.

What is the InChIKey of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

The InChIKey is DXKHFMCANYPZAF-CJFMBICVSA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15(2)13-20(22-27-18-7-5-6-8-19(18)28-22)26-21(31)14-30-23(32)25(3,29-24(30)33)16-9-11-17(34-4)12-10-16/h5-12,15,20H,13-14H2,1-4H3,(H,26,31)(H,27,28)(H,29,33)/t20-,25-/m1/s1.

What are the key properties of N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?

N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 92786885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).