2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one

C96H104ClF5N22O13 — CID 158814287

About 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one

2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one (PubChem CID 158814287) has the molecular formula C96H104ClF5N22O13 and a molecular weight of 1904.47 g/mol. Its IUPAC name is 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one.

Molecular Properties

• Compound Name: 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one
• PubChem CID: 158814287
• Molecular Formula: C96H104ClF5N22O13
• Molecular Weight: 1904.47 g/mol
• Exact Mass: 1902.78
• IUPAC Name: 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one
• SMILES: CC#Cc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.CCOc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.COCc1nccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)n1.COc1nccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)n1.Cc1cc(C2(c3ccnc(Cl)c3)N=C(N)N(C)C2=O)ccc1OC(C)F
• InChI: InChI=1S/C21H21FN4O2.C20H23FN4O3.C19H22FN5O3.C18H18ClFN4O2.C18H20FN5O3/c1-5-6-17-12-16(9-10-24-17)21(19(27)26(4)20(23)25-21)15-7-8-18(13(2)11-15)28-14(3)22;1-5-27-17-11-15(8-9-23-17)20(18(26)25(4)19(22)24-20)14-6-7-16(12(2)10-14)28-13(3)21;1-11-9-13(5-6-14(11)28-12(2)20)19(17(26)25(3)18(21)24-19)15-7-8-22-16(23-15)10-27-4;1-10-8-12(4-5-14(10)26-11(2)20)18(13-6-7-22-15(19)9-13)16(25)24(3)17(21)23-18;1-10-9-12(5-6-13(10)27-11(2)19)18(15(25)24(3)16(20)23-18)14-7-8-21-17(22-14)26-4/h7-12,14H,1-4H3,(H2,23,25);6-11,13H,5H2,1-4H3,(H2,22,24);5-9,12H,10H2,1-4H3,(H2,21,24);4-9,11H,1-3H3,(H2,21,23);5-9,11H,1-4H3,(H2,20,23)
• InChIKey: IVBNIKMJSCZHBS-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 457.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1904.47
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one?

The IUPAC name of 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one (CID 158814287) is 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one.

What is the SMILES notation for 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one?

The canonical SMILES for 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one is CC#Cc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.CCOc1cc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)ccn1.COCc1nccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)n1.COc1nccc(C2(c3ccc(OC(C)F)c(C)c3)N=C(N)N(C)C2=O)n1.Cc1cc(C2(c3ccnc(Cl)c3)N=C(N)N(C)C2=O)ccc1OC(C)F.

What is the InChIKey of 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one?

The InChIKey is IVBNIKMJSCZHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2.C20H23FN4O3.C19H22FN5O3.C18H18ClFN4O2.C18H20FN5O3/c1-5-6-17-12-16(9-10-24-17)21(19(27)26(4)20(23)25-21)15-7-8-18(13(2)11-15)28-14(3)22;1-5-27-17-11-15(8-9-23-17)20(18(26)25(4)19(22)24-20)14-6-7-16(12(2)10-14)28-13(3)21;1-11-9-13(5-6-14(11)28-12(2)20)19(17(26)25(3)18(21)24-19)15-7-8-22-16(23-15)10-27-4;1-10-8-12(4-5-14(10)26-11(2)20)18(13-6-7-22-15(19)9-13)16(25)24(3)17(21)23-18;1-10-9-12(5-6-13(10)27-11(2)19)18(15(25)24(3)16(20)23-18)14-7-8-21-17(22-14)26-4/h7-12,14H,1-4H3,(H2,23,25);6-11,13H,5H2,1-4H3,(H2,22,24);5-9,12H,10H2,1-4H3,(H2,21,24);4-9,11H,1-3H3,(H2,21,23);5-9,11H,1-4H3,(H2,20,23).

What are the key properties of 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one?

2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one has a molecular weight of 1904.47 g/mol, XLogP of 10.94, 25 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(2-chloro-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-(2-ethoxy-4-pyridinyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-[2-(methoxymethyl)pyrimidin-4-yl]-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(2-methoxypyrimidin-4-yl)-3-methylimidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one is sourced from PubChem (CID 158814287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).