3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

C27H22ClF3N4O2 — CID 59485579

IUPAC3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCn2cccn2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H22ClF3N4O2/c28-21-5-9-23(10-6-21)37-24-11-7-22(8-12-24)35-25(19-3-1-4-20(17-19)27(29,30)31)18-33(26(35)36)15-16-34-14-2-13-32-34/h1-14,17,25H,15-16,18H2
InChIKeyHYOBDVUSXUWHAG-UHFFFAOYSA-N
MW526.95 g/mol
LogP7.03
Rot. Bonds7

About 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one

3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 59485579) has the molecular formula C27H22ClF3N4O2 and a molecular weight of 526.95 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
PubChem CID59485579
Molecular FormulaC27H22ClF3N4O2
Molecular Weight526.95 g/mol
Exact Mass526.14
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
SMILESO=C1N(CCn2cccn2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H22ClF3N4O2/c28-21-5-9-23(10-6-21)37-24-11-7-22(8-12-24)35-25(19-3-1-4-20(17-19)27(29,30)31)18-33(26(35)36)15-16-34-14-2-13-32-34/h1-14,17,25H,15-16,18H2
InChIKeyHYOBDVUSXUWHAG-UHFFFAOYSA-N
XLogP7.03
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.95
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 59485579) is 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is O=C1N(CCn2cccn2)CC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
The InChIKey is HYOBDVUSXUWHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF3N4O2/c28-21-5-9-23(10-6-21)37-24-11-7-22(8-12-24)35-25(19-3-1-4-20(17-19)27(29,30)31)18-33(26(35)36)15-16-34-14-2-13-32-34/h1-14,17,25H,15-16,18H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one?
3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 526.95 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-1-(2-pyrazol-1-ylethyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 59485579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).