[2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

C24H23F7N4O4 — CID 175621076

About [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

[2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 175621076) has the molecular formula C24H23F7N4O4 and a molecular weight of 564.46 g/mol. Its IUPAC name is [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

• Compound Name: [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
• PubChem CID: 175621076
• Molecular Formula: C24H23F7N4O4
• Molecular Weight: 564.46 g/mol
• Exact Mass: 564.16
• IUPAC Name: [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
• SMILES: CNCC(Cn1ccn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)c1=O)OC
• InChI: InChI=1S/C24H23F7N4O4/c1-32-12-17(38-3)13-34-8-9-35(21(34)36)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(37)33(2)16-6-4-15(25)5-7-16/h4-11,17,32H,12-13H2,1-3H3
• InChIKey: LXFFEASWBLCJAI-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 77.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.46
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The IUPAC name of [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 175621076) is [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

What is the SMILES notation for [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The canonical SMILES for [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CNCC(Cn1ccn(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)c1=O)OC.

What is the InChIKey of [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

The InChIKey is LXFFEASWBLCJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F7N4O4/c1-32-12-17(38-3)13-34-8-9-35(21(34)36)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(37)33(2)16-6-4-15(25)5-7-16/h4-11,17,32H,12-13H2,1-3H3.

What are the key properties of [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?

[2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 564.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[2-methoxy-3-(methylamino)propyl]-2-oxoimidazol-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 175621076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).