1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one

C24H28F3N3O4 — CID 10127968

IUPAC1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1
InChIInChI=1S/C24H28F3N3O4/c1-17-3-4-18(15-20(17)24(25,26)27)29-7-8-30(23(29)31)19-5-6-21(32-2)22(16-19)34-14-11-28-9-12-33-13-10-28/h3-6,15-16H,7-14H2,1-2H3
InChIKeyUKQLIKOYYKABPU-UHFFFAOYSA-N
MW479.50 g/mol
LogP4.18
Rot. Bonds7

About 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 10127968) has the molecular formula C24H28F3N3O4 and a molecular weight of 479.50 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID10127968
Molecular FormulaC24H28F3N3O4
Molecular Weight479.50 g/mol
Exact Mass479.20
IUPAC Name1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1
InChIInChI=1S/C24H28F3N3O4/c1-17-3-4-18(15-20(17)24(25,26)27)29-7-8-30(23(29)31)19-5-6-21(32-2)22(16-19)34-14-11-28-9-12-33-13-10-28/h3-6,15-16H,7-14H2,1-2H3
InChIKeyUKQLIKOYYKABPU-UHFFFAOYSA-N
XLogP4.18
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 10127968) is 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3ccc(C)c(C(F)(F)F)c3)C2=O)cc1OCCN1CCOCC1.
What is the InChIKey of 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is UKQLIKOYYKABPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4/c1-17-3-4-18(15-20(17)24(25,26)27)29-7-8-30(23(29)31)19-5-6-21(32-2)22(16-19)34-14-11-28-9-12-33-13-10-28/h3-6,15-16H,7-14H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 479.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-[4-methyl-3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 10127968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).