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

C20H13Cl2F3IN3O2 — CID 11585072

IUPAC(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21
InChIInChI=1S/C20H13Cl2F3IN3O2/c1-19(9-11-2-4-15(5-3-11)31-20(23,24)25)17(30)28(18-27-10-16(26)29(18)19)14-7-12(21)6-13(22)8-14/h2-8,10H,9H2,1H3/t19-/m1/s1
InChIKeyCZNDGEKTSGGFHR-LJQANCHMSA-N
MW582.15 g/mol
LogP6.33
Rot. Bonds4

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

(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one (PubChem CID 11585072) has the molecular formula C20H13Cl2F3IN3O2 and a molecular weight of 582.15 g/mol. Its IUPAC name is (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one
PubChem CID11585072
Molecular FormulaC20H13Cl2F3IN3O2
Molecular Weight582.15 g/mol
Exact Mass580.94
IUPAC Name(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21
InChIInChI=1S/C20H13Cl2F3IN3O2/c1-19(9-11-2-4-15(5-3-11)31-20(23,24)25)17(30)28(18-27-10-16(26)29(18)19)14-7-12(21)6-13(22)8-14/h2-8,10H,9H2,1H3/t19-/m1/s1
InChIKeyCZNDGEKTSGGFHR-LJQANCHMSA-N
XLogP6.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.15
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one?
The IUPAC name of (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one (CID 11585072) is (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one?
The canonical SMILES for (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one is C[C@@]1(Cc2ccc(OC(F)(F)F)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(I)n21.
What is the InChIKey of (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one?
The InChIKey is CZNDGEKTSGGFHR-LJQANCHMSA-N. The full InChI is InChI=1S/C20H13Cl2F3IN3O2/c1-19(9-11-2-4-15(5-3-11)31-20(23,24)25)17(30)28(18-27-10-16(26)29(18)19)14-7-12(21)6-13(22)8-14/h2-8,10H,9H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one?
(5R)-7-(3,5-dichlorophenyl)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one has a molecular weight of 582.15 g/mol, XLogP of 6.33, 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)-3-iodo-5-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 11585072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).