2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

C147H119F11N28O6 — CID 157050882

About 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one

2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (PubChem CID 157050882) has the molecular formula C147H119F11N28O6 and a molecular weight of 2582.74 g/mol. Its IUPAC name is 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
• PubChem CID: 157050882
• Molecular Formula: C147H119F11N28O6
• Molecular Weight: 2582.74 g/mol
• Exact Mass: 2580.97
• IUPAC Name: 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
• SMILES: CC#Cc1cncc(-c2cccc(C3(c4cc(C(F)(F)F)ccn4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccc(C(F)(F)F)cc4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccc(CC)cc4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4cccc(CF)n4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4cncc(CF)c4)N=C(N)N(C)C3=O)c2)c1
• InChI: InChI=1S/C26H24N4O.C25H19F3N4O.2C24H18F3N5O.2C24H20FN5O/c1-4-7-19-14-21(17-28-16-19)20-8-6-9-23(15-20)26(24(31)30(3)25(27)29-26)22-12-10-18(5-2)11-13-22;1-3-5-16-12-18(15-30-14-16)17-6-4-7-21(13-17)24(22(33)32(2)23(29)31-24)19-8-10-20(11-9-19)25(26,27)28;1-3-5-15-10-17(14-29-13-15)16-6-4-7-18(11-16)23(21(33)32(2)22(28)31-23)20-12-19(8-9-30-20)24(25,26)27;1-3-5-15-10-17(14-29-13-15)16-6-4-7-18(11-16)23(21(33)32(2)22(28)31-23)19-8-9-30-20(12-19)24(25,26)27;1-3-6-16-11-18(15-27-14-16)17-7-4-8-19(12-17)24(22(31)30(2)23(26)29-24)21-10-5-9-20(13-25)28-21;1-3-5-16-8-19(14-27-12-16)18-6-4-7-20(10-18)24(22(31)30(2)23(26)29-24)21-9-17(11-25)13-28-15-21/h6,8-17H,5H2,1-3H3,(H2,27,29);4,6-15H,1-2H3,(H2,29,31);2*4,6-14H,1-2H3,(H2,28,31);4-5,7-12,14-15H,13H2,1-2H3,(H2,26,29);4,6-10,12-15H,11H2,1-2H3,(H2,26,29)
• InChIKey: AAEPVIOKJOCKFY-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 481.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2582.74
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?

The IUPAC name of 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one (CID 157050882) is 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one.

What is the SMILES notation for 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?

The canonical SMILES for 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is CC#Cc1cncc(-c2cccc(C3(c4cc(C(F)(F)F)ccn4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccc(C(F)(F)F)cc4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccc(CC)cc4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4cccc(CF)n4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4ccnc(C(F)(F)F)c4)N=C(N)N(C)C3=O)c2)c1.CC#Cc1cncc(-c2cccc(C3(c4cncc(CF)c4)N=C(N)N(C)C3=O)c2)c1.

What is the InChIKey of 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?

The InChIKey is AAEPVIOKJOCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O.C25H19F3N4O.2C24H18F3N5O.2C24H20FN5O/c1-4-7-19-14-21(17-28-16-19)20-8-6-9-23(15-20)26(24(31)30(3)25(27)29-26)22-12-10-18(5-2)11-13-22;1-3-5-16-12-18(15-30-14-16)17-6-4-7-21(13-17)24(22(33)32(2)23(29)31-24)19-8-10-20(11-9-19)25(26,27)28;1-3-5-15-10-17(14-29-13-15)16-6-4-7-18(11-16)23(21(33)32(2)22(28)31-23)20-12-19(8-9-30-20)24(25,26)27;1-3-5-15-10-17(14-29-13-15)16-6-4-7-18(11-16)23(21(33)32(2)22(28)31-23)19-8-9-30-20(12-19)24(25,26)27;1-3-6-16-11-18(15-27-14-16)17-7-4-8-19(12-17)24(22(31)30(2)23(26)29-24)21-10-5-9-20(13-25)28-21;1-3-5-16-8-19(14-27-12-16)18-6-4-7-20(10-18)24(22(31)30(2)23(26)29-24)21-9-17(11-25)13-28-15-21/h6,8-17H,5H2,1-3H3,(H2,27,29);4,6-15H,1-2H3,(H2,29,31);2*4,6-14H,1-2H3,(H2,28,31);4-5,7-12,14-15H,13H2,1-2H3,(H2,26,29);4,6-10,12-15H,11H2,1-2H3,(H2,26,29).

What are the key properties of 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one?

2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one has a molecular weight of 2582.74 g/mol, XLogP of 21.04, 21 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(4-ethylphenyl)-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[5-(fluoromethyl)-3-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[6-(fluoromethyl)-2-pyridinyl]-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)phenyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(5-prop-1-ynyl-3-pyridinyl)phenyl]-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one is sourced from PubChem (CID 157050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).