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

C19H12Cl2F3N3O2 — CID 71206281

IUPAC(5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one
SMILESO=C1[C@@H](Cc2ccc(OC(F)(F)F)cc2)n2ccnc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2F3N3O2/c20-12-8-13(21)10-14(9-12)27-17(28)16(26-6-5-25-18(26)27)7-11-1-3-15(4-2-11)29-19(22,23)24/h1-6,8-10,16H,7H2/t16-/m1/s1
InChIKeyBJUOTHYAUIMLRK-MRXNPFEDSA-N
MW442.22 g/mol
LogP5.55
Rot. Bonds4

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

(5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one (PubChem CID 71206281) has the molecular formula C19H12Cl2F3N3O2 and a molecular weight of 442.22 g/mol. Its IUPAC name is (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name(5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one
PubChem CID71206281
Molecular FormulaC19H12Cl2F3N3O2
Molecular Weight442.22 g/mol
Exact Mass441.03
IUPAC Name(5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one
SMILESO=C1[C@@H](Cc2ccc(OC(F)(F)F)cc2)n2ccnc2N1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C19H12Cl2F3N3O2/c20-12-8-13(21)10-14(9-12)27-17(28)16(26-6-5-25-18(26)27)7-11-1-3-15(4-2-11)29-19(22,23)24/h1-6,8-10,16H,7H2/t16-/m1/s1
InChIKeyBJUOTHYAUIMLRK-MRXNPFEDSA-N
XLogP5.55
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.22
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one?
The IUPAC name of (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one (CID 71206281) is (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one?
The canonical SMILES for (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one is O=C1[C@@H](Cc2ccc(OC(F)(F)F)cc2)n2ccnc2N1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one?
The InChIKey is BJUOTHYAUIMLRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H12Cl2F3N3O2/c20-12-8-13(21)10-14(9-12)27-17(28)16(26-6-5-25-18(26)27)7-11-1-3-15(4-2-11)29-19(22,23)24/h1-6,8-10,16H,7H2/t16-/m1/s1.
What are the key properties of (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one?
(5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one has a molecular weight of 442.22 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(3,5-dichlorophenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]-5H-imidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 71206281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).