[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

C24H25F7N4O4 — CID 171507430

IUPAC[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C)CC(O)CN1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H25F7N4O4/c1-32(2)12-17(36)13-34-8-9-35(21(34)37)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(38)33(3)16-6-4-15(25)5-7-16/h4-7,10-11,17,36H,8-9,12-13H2,1-3H3
InChIKeyXOWJYFCVFGFEFB-UHFFFAOYSA-N
MW566.47 g/mol
LogP4.66
Rot. Bonds7

About [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate

[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 171507430) has the molecular formula C24H25F7N4O4 and a molecular weight of 566.47 g/mol. Its IUPAC name is [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
PubChem CID171507430
Molecular FormulaC24H25F7N4O4
Molecular Weight566.47 g/mol
Exact Mass566.18
IUPAC Name[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C)CC(O)CN1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)C1=O
InChIInChI=1S/C24H25F7N4O4/c1-32(2)12-17(36)13-34-8-9-35(21(34)37)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(38)33(3)16-6-4-15(25)5-7-16/h4-7,10-11,17,36H,8-9,12-13H2,1-3H3
InChIKeyXOWJYFCVFGFEFB-UHFFFAOYSA-N
XLogP4.66
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The IUPAC name of [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 171507430) is [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CN(C)CC(O)CN1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2OC(=O)N(C)c2ccc(F)cc2)C1=O.
What is the InChIKey of [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The InChIKey is XOWJYFCVFGFEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F7N4O4/c1-32(2)12-17(36)13-34-8-9-35(21(34)37)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(38)33(3)16-6-4-15(25)5-7-16/h4-7,10-11,17,36H,8-9,12-13H2,1-3H3.
What are the key properties of [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
[2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 566.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 171507430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).