2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine

C45H31BrF12N8O4 — CID 162014743

IUPAC2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(Br)c2)N=C1N.Cc1cncc(F)c1
InChIInChI=1S/C22H14F6N4O2.C17H11BrF5N3O2.C6H6FN/c1-32-19(33)21(31-20(32)29,13-3-5-18(17(25)8-13)34-22(26,27)28)12-2-4-16(24)15(7-12)11-6-14(23)10-30-9-11;1-26-14(27)16(25-15(26)24,8-2-4-11(19)10(18)6-8)9-3-5-13(12(20)7-9)28-17(21,22)23;1-5-2-6(7)4-8-3-5/h2-10H,1H3,(H2,29,31);2-7H,1H3,(H2,24,25);2-4H,1H3
InChIKeyYTYKUGOLSJWNFR-UHFFFAOYSA-N
MW1055.67 g/mol
LogP9.28
Rot. Bonds7

About 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine

2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine (PubChem CID 162014743) has the molecular formula C45H31BrF12N8O4 and a molecular weight of 1055.67 g/mol. Its IUPAC name is 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine.

Molecular Properties

Compound Name2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine
PubChem CID162014743
Molecular FormulaC45H31BrF12N8O4
Molecular Weight1055.67 g/mol
Exact Mass1054.15
IUPAC Name2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine
SMILESCN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(Br)c2)N=C1N.Cc1cncc(F)c1
InChIInChI=1S/C22H14F6N4O2.C17H11BrF5N3O2.C6H6FN/c1-32-19(33)21(31-20(32)29,13-3-5-18(17(25)8-13)34-22(26,27)28)12-2-4-16(24)15(7-12)11-6-14(23)10-30-9-11;1-26-14(27)16(25-15(26)24,8-2-4-11(19)10(18)6-8)9-3-5-13(12(20)7-9)28-17(21,22)23;1-5-2-6(7)4-8-3-5/h2-10H,1H3,(H2,29,31);2-7H,1H3,(H2,24,25);2-4H,1H3
InChIKeyYTYKUGOLSJWNFR-UHFFFAOYSA-N
XLogP9.28
TPSA161.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001055.67
LogP ≤ 59.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine?
The IUPAC name of 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine (CID 162014743) is 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine.
What is the SMILES notation for 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine?
The canonical SMILES for 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine is CN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(-c3cncc(F)c3)c2)N=C1N.CN1C(=O)C(c2ccc(OC(F)(F)F)c(F)c2)(c2ccc(F)c(Br)c2)N=C1N.Cc1cncc(F)c1.
What is the InChIKey of 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine?
The InChIKey is YTYKUGOLSJWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F6N4O2.C17H11BrF5N3O2.C6H6FN/c1-32-19(33)21(31-20(32)29,13-3-5-18(17(25)8-13)34-22(26,27)28)12-2-4-16(24)15(7-12)11-6-14(23)10-30-9-11;1-26-14(27)16(25-15(26)24,8-2-4-11(19)10(18)6-8)9-3-5-13(12(20)7-9)28-17(21,22)23;1-5-2-6(7)4-8-3-5/h2-10H,1H3,(H2,29,31);2-7H,1H3,(H2,24,25);2-4H,1H3.
What are the key properties of 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine?
2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine has a molecular weight of 1055.67 g/mol, XLogP of 9.28, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromo-4-fluorophenyl)-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-fluoro-3-(5-fluoro-3-pyridinyl)phenyl]-5-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylimidazol-4-one;3-fluoro-5-methylpyridine is sourced from PubChem (CID 162014743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).