1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one

C22H15Cl3F3N3O2 — CID 43811250

IUPAC1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C22H15Cl3F3N3O2/c23-16-9-15(31-7-6-30(21(31)32)12-13-4-2-1-3-5-13)10-17(24)19(16)33-20-18(25)8-14(11-29-20)22(26,27)28/h1-5,8-11H,6-7,12H2
InChIKeyIKJWEGBWHPAGDO-UHFFFAOYSA-N
MW516.73 g/mol
LogP7.30
Rot. Bonds5

About 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one

1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one (PubChem CID 43811250) has the molecular formula C22H15Cl3F3N3O2 and a molecular weight of 516.73 g/mol. Its IUPAC name is 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one
PubChem CID43811250
Molecular FormulaC22H15Cl3F3N3O2
Molecular Weight516.73 g/mol
Exact Mass515.02
IUPAC Name1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccccc2)CCN1c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1
InChIInChI=1S/C22H15Cl3F3N3O2/c23-16-9-15(31-7-6-30(21(31)32)12-13-4-2-1-3-5-13)10-17(24)19(16)33-20-18(25)8-14(11-29-20)22(26,27)28/h1-5,8-11H,6-7,12H2
InChIKeyIKJWEGBWHPAGDO-UHFFFAOYSA-N
XLogP7.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one?
The IUPAC name of 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one (CID 43811250) is 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one is O=C1N(Cc2ccccc2)CCN1c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one?
The InChIKey is IKJWEGBWHPAGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3F3N3O2/c23-16-9-15(31-7-6-30(21(31)32)12-13-4-2-1-3-5-13)10-17(24)19(16)33-20-18(25)8-14(11-29-20)22(26,27)28/h1-5,8-11H,6-7,12H2.
What are the key properties of 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one?
1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one has a molecular weight of 516.73 g/mol, XLogP of 7.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imidazolidin-2-one is sourced from PubChem (CID 43811250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).