1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one

C18H21F6N3O2 — CID 45268141

IUPAC1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H21F6N3O2/c19-17(20,21)13-4-6-25(7-5-13)8-9-26-10-11-27(16(26)28)14-2-1-3-15(12-14)29-18(22,23)24/h1-3,12-13H,4-11H2
InChIKeyXIMQMECIXPDQER-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.10
Rot. Bonds5

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

1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 45268141) has the molecular formula C18H21F6N3O2 and a molecular weight of 425.37 g/mol. Its IUPAC name is 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID45268141
Molecular FormulaC18H21F6N3O2
Molecular Weight425.37 g/mol
Exact Mass425.15
IUPAC Name1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESO=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C18H21F6N3O2/c19-17(20,21)13-4-6-25(7-5-13)8-9-26-10-11-27(16(26)28)14-2-1-3-15(12-14)29-18(22,23)24/h1-3,12-13H,4-11H2
InChIKeyXIMQMECIXPDQER-UHFFFAOYSA-N
XLogP4.10
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one (CID 45268141) is 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is XIMQMECIXPDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F6N3O2/c19-17(20,21)13-4-6-25(7-5-13)8-9-26-10-11-27(16(26)28)14-2-1-3-15(12-14)29-18(22,23)24/h1-3,12-13H,4-11H2.
What are the key properties of 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 425.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethoxy)phenyl]-3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 45268141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).