1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one

C17H6Cl2F9N3O — CID 57152633

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2ncc(C(F)(F)F)[nH]2)cn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H6Cl2F9N3O/c18-9-1-6(15(20,21)22)2-10(19)13(9)31-5-7(8(3-12(31)32)16(23,24)25)14-29-4-11(30-14)17(26,27)28/h1-5H,(H,29,30)
InChIKeyWJCHBOYIUIAQDR-UHFFFAOYSA-N
MW510.14 g/mol
LogP6.59
Rot. Bonds2

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one (PubChem CID 57152633) has the molecular formula C17H6Cl2F9N3O and a molecular weight of 510.14 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one
PubChem CID57152633
Molecular FormulaC17H6Cl2F9N3O
Molecular Weight510.14 g/mol
Exact Mass508.97
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2ncc(C(F)(F)F)[nH]2)cn1-c1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H6Cl2F9N3O/c18-9-1-6(15(20,21)22)2-10(19)13(9)31-5-7(8(3-12(31)32)16(23,24)25)14-29-4-11(30-14)17(26,27)28/h1-5H,(H,29,30)
InChIKeyWJCHBOYIUIAQDR-UHFFFAOYSA-N
XLogP6.59
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.14
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one (CID 57152633) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one is O=c1cc(C(F)(F)F)c(-c2ncc(C(F)(F)F)[nH]2)cn1-c1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one?
The InChIKey is WJCHBOYIUIAQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl2F9N3O/c18-9-1-6(15(20,21)22)2-10(19)13(9)31-5-7(8(3-12(31)32)16(23,24)25)14-29-4-11(30-14)17(26,27)28/h1-5H,(H,29,30).
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one has a molecular weight of 510.14 g/mol, XLogP of 6.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-2-one is sourced from PubChem (CID 57152633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).