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

C19H16F3N5O4 — CID 132941363

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

N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide (PubChem CID 132941363) has the molecular formula C19H16F3N5O4 and a molecular weight of 435.36 g/mol. Its IUPAC name is N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
• PubChem CID: 132941363
• Molecular Formula: C19H16F3N5O4
• Molecular Weight: 435.36 g/mol
• Exact Mass: 435.12
• IUPAC Name: N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide
• SMILES: CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O
• InChI: InChI=1S/C19H16F3N5O4/c1-2-27-6-5-23-15(27)18(16(29)25-17(30)26-18)9-24-14(28)13-8-10-7-11(19(20,21)22)3-4-12(10)31-13/h3-8H,2,9H2,1H3,(H,24,28)(H2,25,26,29,30)/t18-/m0/s1
• InChIKey: CVBUIFHDZMEAIE-SFHVURJKSA-N
• XLogP: 2.13
• TPSA: 118.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.36
LogP ≤ 5	2.13
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-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide (CID 132941363) is N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide.

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

The canonical SMILES for N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide is CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O.

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

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

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

N-[[(4S)-4-(1-ethylimidazol-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 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(4S)-4-(1-ethylimidazol-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]-5-(trifluoromethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 132941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).