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

C24H22F7N3O4 — CID 171507493

IUPAC[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1c(N2CCN(CCOC3CC3)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C24H22F7N3O4/c1-32(16-4-2-15(25)3-5-16)22(36)38-20-18(24(29,30)31)12-14(23(26,27)28)13-19(20)34-9-8-33(21(34)35)10-11-37-17-6-7-17/h2-5,12-13,17H,6-11H2,1H3
InChIKeyLGKHVRHWEMEDIL-UHFFFAOYSA-N
MW549.44 g/mol
LogP5.92
Rot. Bonds7

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

[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (PubChem CID 171507493) has the molecular formula C24H22F7N3O4 and a molecular weight of 549.44 g/mol. Its IUPAC name is [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Name[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
PubChem CID171507493
Molecular FormulaC24H22F7N3O4
Molecular Weight549.44 g/mol
Exact Mass549.15
IUPAC Name[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
SMILESCN(C(=O)Oc1c(N2CCN(CCOC3CC3)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C24H22F7N3O4/c1-32(16-4-2-15(25)3-5-16)22(36)38-20-18(24(29,30)31)12-14(23(26,27)28)13-19(20)34-9-8-33(21(34)35)10-11-37-17-6-7-17/h2-5,12-13,17H,6-11H2,1H3
InChIKeyLGKHVRHWEMEDIL-UHFFFAOYSA-N
XLogP5.92
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(2-ethoxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507508
[2-[3-[(1-methylazetidin-3-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507238
[2-[3-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507437
[2-[2-oxo-3-[2-(6-oxo-2-oxa-7-azaspiro[3.4]octan-7-yl)ethyl]imidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507472
[2-[3-[2-[[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]acetyl]amino]sulfanyloxyethyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507385
[2-[3-[(3-hydroxypiperidin-3-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507545
[2-[3-(1-methylsulfanylpiperidin-4-yl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507148
[2-[3-[(3-hydroxyoxan-3-yl)methyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507182
[2-[3-[3-(hydroxymethyl)oxetan-3-yl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507234
[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507144
[2-[3-[2-(1-methylimidazol-2-yl)ethynyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507381
[2-[3-[2-(2-methyl-1,3-oxazol-5-yl)ethynyl]-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 171507422

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The IUPAC name of [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate (CID 171507493) is [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate.
What is the SMILES notation for [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The canonical SMILES for [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is CN(C(=O)Oc1c(N2CCN(CCOC3CC3)C2=O)cc(C(F)(F)F)cc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
The InChIKey is LGKHVRHWEMEDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F7N3O4/c1-32(16-4-2-15(25)3-5-16)22(36)38-20-18(24(29,30)31)12-14(23(26,27)28)13-19(20)34-9-8-33(21(34)35)10-11-37-17-6-7-17/h2-5,12-13,17H,6-11H2,1H3.
What are the key properties of [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate?
[2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate has a molecular weight of 549.44 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-cyclopropyloxyethyl)-2-oxoimidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] N-(4-fluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 171507493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).