2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid

C26H24F3N3O4 — CID 174572016

IUPAC2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOCc1c(-c2ccccc2)cccc1C1(c2ccccc2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-12-7-4-8-13-18)21-15-9-14-19(20(21)16-29-2)17-10-5-3-6-11-17;3-2(4,5)1(6)7/h3-15H,16H2,1-2H3,(H2,25,26);(H,6,7)
InChIKeyBLDUOZNBRUDZDQ-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.16
Rot. Bonds5

About 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid

2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid (PubChem CID 174572016) has the molecular formula C26H24F3N3O4 and a molecular weight of 499.49 g/mol. Its IUPAC name is 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
PubChem CID174572016
Molecular FormulaC26H24F3N3O4
Molecular Weight499.49 g/mol
Exact Mass499.17
IUPAC Name2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid
SMILESCOCc1c(-c2ccccc2)cccc1C1(c2ccccc2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C24H23N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-12-7-4-8-13-18)21-15-9-14-19(20(21)16-29-2)17-10-5-3-6-11-17;3-2(4,5)1(6)7/h3-15H,16H2,1-2H3,(H2,25,26);(H,6,7)
InChIKeyBLDUOZNBRUDZDQ-UHFFFAOYSA-N
XLogP4.16
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid (CID 174572016) is 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid is COCc1c(-c2ccccc2)cccc1C1(c2ccccc2)N=C(N)N(C)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is BLDUOZNBRUDZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2.C2HF3O2/c1-27-22(28)24(26-23(27)25,18-12-7-4-8-13-18)21-15-9-14-19(20(21)16-29-2)17-10-5-3-6-11-17;3-2(4,5)1(6)7/h3-15H,16H2,1-2H3,(H2,25,26);(H,6,7).
What are the key properties of 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid?
2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 499.49 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(methoxymethyl)-3-phenylphenyl]-3-methyl-5-phenylimidazol-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174572016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).