1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C28H24F3N5O2 — CID 58397001

IUPAC1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCc1nccc(-c2cccnc2Oc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc2C)n1
InChIInChI=1S/C28H24F3N5O2/c1-3-25-32-13-11-23(34-25)22-8-5-12-33-26(22)38-24-10-9-21(16-18(24)2)36-15-14-35(27(36)37)20-7-4-6-19(17-20)28(29,30)31/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyJWBFHQXWDRIIMV-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.67
Rot. Bonds6

About 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 58397001) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID58397001
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC Name1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESCCc1nccc(-c2cccnc2Oc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc2C)n1
InChIInChI=1S/C28H24F3N5O2/c1-3-25-32-13-11-23(34-25)22-8-5-12-33-26(22)38-24-10-9-21(16-18(24)2)36-15-14-35(27(36)37)20-7-4-6-19(17-20)28(29,30)31/h4-13,16-17H,3,14-15H2,1-2H3
InChIKeyJWBFHQXWDRIIMV-UHFFFAOYSA-N
XLogP6.67
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 58397001) is 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is CCc1nccc(-c2cccnc2Oc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc2C)n1.
What is the InChIKey of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is JWBFHQXWDRIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-3-25-32-13-11-23(34-25)22-8-5-12-33-26(22)38-24-10-9-21(16-18(24)2)36-15-14-35(27(36)37)20-7-4-6-19(17-20)28(29,30)31/h4-13,16-17H,3,14-15H2,1-2H3.
What are the key properties of 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 519.53 g/mol, XLogP of 6.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-ethylpyrimidin-4-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 58397001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).