2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one

C44H32F8N8O4 — CID 158373428

IUPAC2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/2C22H16F4N4O2/c2*1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2*2-12H,1H3,(H2,27,29)/t21-;/m1./s1
InChIKeyGUXBXZVPFMCJDX-ZMBIFBSDSA-N
MW888.78 g/mol
LogP7.63
Rot. Bonds8

About 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one

2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (PubChem CID 158373428) has the molecular formula C44H32F8N8O4 and a molecular weight of 888.78 g/mol. Its IUPAC name is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
PubChem CID158373428
Molecular FormulaC44H32F8N8O4
Molecular Weight888.78 g/mol
Exact Mass888.24
IUPAC Name2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N
InChIInChI=1S/2C22H16F4N4O2/c2*1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2*2-12H,1H3,(H2,27,29)/t21-;/m1./s1
InChIKeyGUXBXZVPFMCJDX-ZMBIFBSDSA-N
XLogP7.63
TPSA161.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.78
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one (CID 158373428) is 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N.CN1C(=O)[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
The InChIKey is GUXBXZVPFMCJDX-ZMBIFBSDSA-N. The full InChI is InChI=1S/2C22H16F4N4O2/c2*1-30-19(31)21(29-20(30)27,14-7-9-16(10-8-14)32-22(24,25)26)15-5-2-4-13(12-15)17-6-3-11-28-18(17)23/h2*2-12H,1H3,(H2,27,29)/t21-;/m1./s1.
What are the key properties of 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one?
2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one has a molecular weight of 888.78 g/mol, XLogP of 7.63, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one;(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]imidazol-4-one is sourced from PubChem (CID 158373428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).