1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one

C19H27F3N4O2 — CID 45271520

IUPAC1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3
InChIKeyGNQOCBGVODGUEX-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.85
Rot. Bonds6

About 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one

1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one (PubChem CID 45271520) has the molecular formula C19H27F3N4O2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
PubChem CID45271520
Molecular FormulaC19H27F3N4O2
Molecular Weight400.45 g/mol
Exact Mass400.21
IUPAC Name1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one
SMILESCC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1
InChIInChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3
InChIKeyGNQOCBGVODGUEX-UHFFFAOYSA-N
XLogP2.85
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one (CID 45271520) is 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one is CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1.
What is the InChIKey of 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
The InChIKey is GNQOCBGVODGUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O2/c1-15(2)24-9-6-23(7-10-24)8-11-25-12-13-26(18(25)27)16-4-3-5-17(14-16)28-19(20,21)22/h3-5,14-15H,6-13H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one?
1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one has a molecular weight of 400.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-3-[3-(trifluoromethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 45271520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).