N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide

C19H16F3N5O4 — CID 155512044

About N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide

N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide (PubChem CID 155512044) has the molecular formula C19H16F3N5O4 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 155512044
• Molecular Formula: C19H16F3N5O4
• Molecular Weight: 435.36 g/mol
• Exact Mass: 435.12
• IUPAC Name: N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
• SMILES: Cc1cnc([C@]2(CNC(=O)c3cc4cc(C(F)(F)F)ccc4o3)NC(=O)NC2=O)n1C
• InChI: InChI=1S/C19H16F3N5O4/c1-9-7-23-15(27(9)2)18(16(29)25-17(30)26-18)8-24-14(28)13-6-10-5-11(19(20,21)22)3-4-12(10)31-13/h3-7H,8H2,1-2H3,(H,24,28)(H2,25,26,29,30)/t18-/m0/s1
• InChIKey: PKTAGMTUNRVAKO-SFHVURJKSA-N
• XLogP: 1.96
• TPSA: 118.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.36
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide (CID 155512044) is N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide is Cc1cnc([C@]2(CNC(=O)c3cc4cc(C(F)(F)F)ccc4o3)NC(=O)NC2=O)n1C.

What is the InChIKey of N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide?

The InChIKey is PKTAGMTUNRVAKO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16F3N5O4/c1-9-7-23-15(27(9)2)18(16(29)25-17(30)26-18)8-24-14(28)13-6-10-5-11(19(20,21)22)3-4-12(10)31-13/h3-7H,8H2,1-2H3,(H,24,28)(H2,25,26,29,30)/t18-/m0/s1.

What are the key properties of N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide?

N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide has a molecular weight of 435.36 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4S)-4-(1,5-dimethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155512044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).