N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide

C25H21F3N4O5S — CID 90710074

About N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 90710074) has the molecular formula C25H21F3N4O5S and a molecular weight of 546.53 g/mol. Its IUPAC name is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 90710074
• Molecular Formula: C25H21F3N4O5S
• Molecular Weight: 546.53 g/mol
• Exact Mass: 546.12
• IUPAC Name: N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide
• SMILES: Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1NC(=O)Cc1ccccc1
• InChI: InChI=1S/C25H21F3N4O5S/c1-16-23(34)32(19-7-9-20(10-8-19)38(36,37)25(26,27)28)24(35)31(16)15-18-11-12-29-14-21(18)30-22(33)13-17-5-3-2-4-6-17/h2-12,14,34H,13,15H2,1H3,(H,30,33)
• InChIKey: NBEXOMOODSERJA-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 123.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.53
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide (CID 90710074) is N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide is Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccncc1NC(=O)Cc1ccccc1.

What is the InChIKey of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is NBEXOMOODSERJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O5S/c1-16-23(34)32(19-7-9-20(10-8-19)38(36,37)25(26,27)28)24(35)31(16)15-18-11-12-29-14-21(18)30-22(33)13-17-5-3-2-4-6-17/h2-12,14,34H,13,15H2,1H3,(H,30,33).

What are the key properties of N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide?

N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 546.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 90710074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).