propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate

C21H21F3N4O5 — CID 91303063

About propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate

propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate (PubChem CID 91303063) has the molecular formula C21H21F3N4O5 and a molecular weight of 466.42 g/mol. Its IUPAC name is propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
• PubChem CID: 91303063
• Molecular Formula: C21H21F3N4O5
• Molecular Weight: 466.42 g/mol
• Exact Mass: 466.15
• IUPAC Name: propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate
• SMILES: Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NC(=O)OC(C)C)c1
• InChI: InChI=1S/C21H21F3N4O5/c1-12(2)32-19(30)26-17-10-14(8-9-25-17)11-27-13(3)18(29)28(20(27)31)15-4-6-16(7-5-15)33-21(22,23)24/h4-10,12,29H,11H2,1-3H3,(H,25,26,30)
• InChIKey: GXOYHRWPJKYWPG-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 107.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.42
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate (CID 91303063) is propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate is Cc1c(O)n(-c2ccc(OC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NC(=O)OC(C)C)c1.

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

The InChIKey is GXOYHRWPJKYWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O5/c1-12(2)32-19(30)26-17-10-14(8-9-25-17)11-27-13(3)18(29)28(20(27)31)15-4-6-16(7-5-15)33-21(22,23)24/h4-10,12,29H,11H2,1-3H3,(H,25,26,30).

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

propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate has a molecular weight of 466.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethoxy)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 91303063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).