2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one

C23H18F3N3O2 — CID 59386733

IUPAC2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H2,27,28)
InChIKeyVVOURZGCGQCSIS-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.19
Rot. Bonds5

About 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one

2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one (PubChem CID 59386733) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
PubChem CID59386733
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O2/c24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H2,27,28)
InChIKeyVVOURZGCGQCSIS-UHFFFAOYSA-N
XLogP4.19
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The IUPAC name of 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one (CID 59386733) is 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The canonical SMILES for 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
The InChIKey is VVOURZGCGQCSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c24-23(25,26)31-19-13-11-16(12-14-19)15-29-20(30)22(28-21(29)27,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H2,27,28).
What are the key properties of 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one?
2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one has a molecular weight of 425.41 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-4-one is sourced from PubChem (CID 59386733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).