7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one

C91H69ClFN17O6S4 — CID 159032586

About 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 159032586) has the molecular formula C91H69ClFN17O6S4 and a molecular weight of 1679.38 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one
• PubChem CID: 159032586
• Molecular Formula: C91H69ClFN17O6S4
• Molecular Weight: 1679.38 g/mol
• Exact Mass: 1677.42
• IUPAC Name: 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one
• SMILES: CC(C)Oc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cc1F.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3ccccc3)c(-c3ccccc3)sc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1
• InChI: InChI=1S/C25H21FN4O2S.C22H15ClN4OS.C22H17N5O2S.C22H16N4OS/c1-14(2)32-18-10-9-16(13-17(18)26)19-20-22(33-21(19)15-7-5-4-6-8-15)25(31)29-23(28-20)24-27-11-12-30(24)3;1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20;1-26-13-12-23-21(26)20-24-17-16(14-8-4-2-5-9-14)18(15-10-6-3-7-11-15)28-19(17)22(27)25-20/h4-14H,1-3H3,(H,28,29,31);2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28);2-13H,1H3,(H,24,25,27)
• InChIKey: JVBGYFJULWIVBS-UHFFFAOYSA-N
• XLogP: 19.86
• TPSA: 285.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.38
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The IUPAC name of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 159032586) is 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one.

What is the SMILES notation for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The canonical SMILES for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)Oc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cc1F.COc1ccc(-c2c(-c3ccccc3)sc3c(=O)[nH]c(-c4nccn4C)nc23)cn1.Cn1ccnc1-c1nc2c(-c3ccccc3)c(-c3ccccc3)sc2c(=O)[nH]1.Cn1ccnc1-c1nc2c(-c3ccccc3Cl)c(-c3ccccc3)sc2c(=O)[nH]1.

What is the InChIKey of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one?

The InChIKey is JVBGYFJULWIVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S.C22H15ClN4OS.C22H17N5O2S.C22H16N4OS/c1-14(2)32-18-10-9-16(13-17(18)26)19-20-22(33-21(19)15-7-5-4-6-8-15)25(31)29-23(28-20)24-27-11-12-30(24)3;1-27-12-11-24-21(27)20-25-17-16(14-9-5-6-10-15(14)23)18(13-7-3-2-4-8-13)29-19(17)22(28)26-20;1-27-11-10-23-21(27)20-25-17-16(14-8-9-15(29-2)24-12-14)18(13-6-4-3-5-7-13)30-19(17)22(28)26-20;1-26-13-12-23-21(26)20-24-17-16(14-8-4-2-5-9-14)18(15-10-6-3-7-11-15)28-19(17)22(27)25-20/h4-14H,1-3H3,(H,28,29,31);2-12H,1H3,(H,25,26,28);3-12H,1-2H3,(H,25,26,28);2-13H,1H3,(H,24,25,27).

What are the key properties of 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one?

7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 1679.38 g/mol, XLogP of 19.86, 15 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(3-fluoro-4-propan-2-yloxyphenyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;7-(6-methoxy-3-pyridinyl)-2-(1-methylimidazol-2-yl)-6-phenyl-3H-thieno[3,2-d]pyrimidin-4-one;2-(1-methylimidazol-2-yl)-6,7-diphenyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 159032586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).