7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane

C23H22Cl2F3N3O2 — CID 171631564

IUPAC7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane
SMILESCC.Cc1cnc2n1C(C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H16Cl2F3N3O2.C2H6/c1-12-11-27-19-28(16-8-14(22)7-15(23)9-16)18(30)20(2,29(12)19)10-13-3-5-17(6-4-13)31-21(24,25)26;1-2/h3-9,11H,10H2,1-2H3;1-2H3
InChIKeyVIWKGKJSPYLPHQ-UHFFFAOYSA-N
MW500.35 g/mol
LogP7.06
Rot. Bonds4

About 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane

7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane (PubChem CID 171631564) has the molecular formula C23H22Cl2F3N3O2 and a molecular weight of 500.35 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane.

Molecular Properties

Compound Name7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane
PubChem CID171631564
Molecular FormulaC23H22Cl2F3N3O2
Molecular Weight500.35 g/mol
Exact Mass499.10
IUPAC Name7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane
SMILESCC.Cc1cnc2n1C(C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C21H16Cl2F3N3O2.C2H6/c1-12-11-27-19-28(16-8-14(22)7-15(23)9-16)18(30)20(2,29(12)19)10-13-3-5-17(6-4-13)31-21(24,25)26;1-2/h3-9,11H,10H2,1-2H3;1-2H3
InChIKeyVIWKGKJSPYLPHQ-UHFFFAOYSA-N
XLogP7.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.35
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane?
The IUPAC name of 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane (CID 171631564) is 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane.
What is the SMILES notation for 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane?
The canonical SMILES for 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane is CC.Cc1cnc2n1C(C)(Cc1ccc(OC(F)(F)F)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane?
The InChIKey is VIWKGKJSPYLPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2F3N3O2.C2H6/c1-12-11-27-19-28(16-8-14(22)7-15(23)9-16)18(30)20(2,29(12)19)10-13-3-5-17(6-4-13)31-21(24,25)26;1-2/h3-9,11H,10H2,1-2H3;1-2H3.
What are the key properties of 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane?
7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane has a molecular weight of 500.35 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dichlorophenyl)-3,5-dimethyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one;ethane is sourced from PubChem (CID 171631564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).