1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C26H18ClF3N4O2 — CID 69048368

IUPAC1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)CN1c1cnc(-c2ccccc2Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C26H18ClF3N4O2/c27-18-8-10-19(11-9-18)36-23-7-2-1-6-20(23)21-13-32-24(14-31-21)34-15-22(33-25(34)35)16-4-3-5-17(12-16)26(28,29)30/h1-14,22H,15H2,(H,33,35)
InChIKeyWLUOGGDXSFPSNI-UHFFFAOYSA-N
MW510.90 g/mol
LogP6.88
Rot. Bonds5

About 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 69048368) has the molecular formula C26H18ClF3N4O2 and a molecular weight of 510.90 g/mol. Its IUPAC name is 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID69048368
Molecular FormulaC26H18ClF3N4O2
Molecular Weight510.90 g/mol
Exact Mass510.11
IUPAC Name1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1NC(c2cccc(C(F)(F)F)c2)CN1c1cnc(-c2ccccc2Oc2ccc(Cl)cc2)cn1
InChIInChI=1S/C26H18ClF3N4O2/c27-18-8-10-19(11-9-18)36-23-7-2-1-6-20(23)21-13-32-24(14-31-21)34-15-22(33-25(34)35)16-4-3-5-17(12-16)26(28,29)30/h1-14,22H,15H2,(H,33,35)
InChIKeyWLUOGGDXSFPSNI-UHFFFAOYSA-N
XLogP6.88
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.90
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(4-chlorophenoxy)phenyl]-4-methylsulfonylphenyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69043142
1-[[3-[4-(4-chlorophenoxy)phenyl]-4-methoxyphenyl]methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045082
(4S)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59485882
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(4S,5R)-3-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-(hydroxymethyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 59485828
1-[3-(4-chlorophenyl)pyrazin-2-yl]-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 69044128
(5S)-1-[(4-chlorophenyl)-(6-piperidin-1-yl-3-pyridinyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69045205
(5S)-1-[5-(4-chlorophenoxy)pyrazin-2-yl]-5-[(4-methoxyphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 69044445
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 69048368) is 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1NC(c2cccc(C(F)(F)F)c2)CN1c1cnc(-c2ccccc2Oc2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is WLUOGGDXSFPSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF3N4O2/c27-18-8-10-19(11-9-18)36-23-7-2-1-6-20(23)21-13-32-24(14-31-21)34-15-22(33-25(34)35)16-4-3-5-17(12-16)26(28,29)30/h1-14,22H,15H2,(H,33,35).
What are the key properties of 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 510.90 g/mol, XLogP of 6.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(4-chlorophenoxy)phenyl]pyrazin-2-yl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 69048368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).