2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C100H105F7N20O11 — CID 158919064

IUPAC2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCC(F)Oc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1.CNCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.COCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.Cc1cc(C2(c3ccnc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F
InChIInChI=1S/C22H20FN5O2.C21H25FN4O2.C21H24FN3O3.2C18H18F2N4O2/c1-14(23)30-19-8-6-17(7-9-19)22(20(29)28(2)21(24)27-22)18-5-3-4-15(10-18)16-11-25-13-26-12-16;1-13-10-17(8-9-18(13)28-14(2)22)21(19(27)26(4)20(23)25-21)16-7-5-6-15(11-16)12-24-3;1-13-10-17(8-9-18(13)28-14(2)22)21(19(26)25(3)20(23)24-21)16-7-5-6-15(11-16)12-27-4;1-10-6-12(4-5-15(10)26-11(2)19)18(13-7-14(20)9-22-8-13)16(25)24(3)17(21)23-18;1-10-8-12(4-5-14(10)26-11(2)19)18(13-6-7-22-15(20)9-13)16(25)24(3)17(21)23-18/h3-14H,1-2H3,(H2,24,27);5-11,14,24H,12H2,1-4H3,(H2,23,25);5-11,14H,12H2,1-4H3,(H2,23,24);2*4-9,11H,1-3H3,(H2,21,23)
InChIKeyJHPJWSBAKCHMQE-UHFFFAOYSA-N
MW1896.05 g/mol
LogP12.68
Rot. Bonds25

About 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 158919064) has the molecular formula C100H105F7N20O11 and a molecular weight of 1896.05 g/mol. Its IUPAC name is 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID158919064
Molecular FormulaC100H105F7N20O11
Molecular Weight1896.05 g/mol
Exact Mass1894.82
IUPAC Name2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCC(F)Oc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1.CNCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.COCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.Cc1cc(C2(c3ccnc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F
InChIInChI=1S/C22H20FN5O2.C21H25FN4O2.C21H24FN3O3.2C18H18F2N4O2/c1-14(23)30-19-8-6-17(7-9-19)22(20(29)28(2)21(24)27-22)18-5-3-4-15(10-18)16-11-25-13-26-12-16;1-13-10-17(8-9-18(13)28-14(2)22)21(19(27)26(4)20(23)25-21)16-7-5-6-15(11-16)12-24-3;1-13-10-17(8-9-18(13)28-14(2)22)21(19(26)25(3)20(23)24-21)16-7-5-6-15(11-16)12-27-4;1-10-6-12(4-5-15(10)26-11(2)19)18(13-7-14(20)9-22-8-13)16(25)24(3)17(21)23-18;1-10-8-12(4-5-14(10)26-11(2)19)18(13-6-7-22-15(20)9-13)16(25)24(3)17(21)23-18/h3-14H,1-2H3,(H2,24,27);5-11,14,24H,12H2,1-4H3,(H2,23,25);5-11,14H,12H2,1-4H3,(H2,23,24);2*4-9,11H,1-3H3,(H2,21,23)
InChIKeyJHPJWSBAKCHMQE-UHFFFAOYSA-N
XLogP12.68
TPSA412.42 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001896.05
LogP ≤ 512.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 158919064) is 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CC(F)Oc1ccc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc1.CNCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.COCc1cccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)c1.Cc1cc(C2(c3ccnc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.Cc1cc(C2(c3cncc(F)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.
What is the InChIKey of 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is JHPJWSBAKCHMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2.C21H25FN4O2.C21H24FN3O3.2C18H18F2N4O2/c1-14(23)30-19-8-6-17(7-9-19)22(20(29)28(2)21(24)27-22)18-5-3-4-15(10-18)16-11-25-13-26-12-16;1-13-10-17(8-9-18(13)28-14(2)22)21(19(27)26(4)20(23)25-21)16-7-5-6-15(11-16)12-24-3;1-13-10-17(8-9-18(13)28-14(2)22)21(19(26)25(3)20(23)24-21)16-7-5-6-15(11-16)12-27-4;1-10-6-12(4-5-15(10)26-11(2)19)18(13-7-14(20)9-22-8-13)16(25)24(3)17(21)23-18;1-10-8-12(4-5-14(10)26-11(2)19)18(13-6-7-22-15(20)9-13)16(25)24(3)17(21)23-18/h3-14H,1-2H3,(H2,24,27);5-11,14,24H,12H2,1-4H3,(H2,23,25);5-11,14H,12H2,1-4H3,(H2,23,24);2*4-9,11H,1-3H3,(H2,21,23).
What are the key properties of 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 1896.05 g/mol, XLogP of 12.68, 25 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-fluoro-4-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(5-fluoro-3-pyridinyl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[3-(methoxymethyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-[3-(methylaminomethyl)phenyl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 158919064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).