4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile

C86H66N22O5S4 — CID 162256243

About 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile

4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile (PubChem CID 162256243) has the molecular formula C86H66N22O5S4 and a molecular weight of 1615.89 g/mol. Its IUPAC name is 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
• PubChem CID: 162256243
• Molecular Formula: C86H66N22O5S4
• Molecular Weight: 1615.89 g/mol
• Exact Mass: 1614.45
• IUPAC Name: 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile
• SMILES: CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(=O)[nH]c2)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccnc3ccccc23)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2nc3ccccc3n2C)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2nccn2C)NC(=O)N1
• InChI: InChI=1S/C24H17N5OS.C23H18N6OS.C20H15N5O2S.C19H16N6OS/c1-14-21(23-28-20(13-31-23)16-8-6-15(12-25)7-9-16)22(29-24(30)27-14)18-10-11-26-19-5-3-2-4-17(18)19;1-13-19(22-27-17(12-31-22)15-9-7-14(11-24)8-10-15)20(28-23(30)25-13)21-26-16-5-3-4-6-18(16)29(21)2;1-11-17(18(25-20(27)23-11)14-6-7-16(26)22-9-14)19-24-15(10-28-19)13-4-2-12(8-21)3-5-13;1-11-15(16(24-19(26)22-11)17-21-7-8-25(17)2)18-23-14(10-27-18)13-5-3-12(9-20)4-6-13/h2-11,13,22H,1H3,(H2,27,29,30);3-10,12,20H,1-2H3,(H2,25,28,30);2-7,9-10,18H,1H3,(H,22,26)(H2,23,25,27);3-8,10,16H,1-2H3,(H2,22,24,26)
• InChIKey: ZYQBCGNYNODDIK-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 392.63 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1615.89
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile?

The IUPAC name of 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile (CID 162256243) is 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile.

What is the SMILES notation for 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile?

The canonical SMILES for 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile is CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccc(=O)[nH]c2)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2ccnc3ccccc23)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2nc3ccccc3n2C)NC(=O)N1.CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)C(c2nccn2C)NC(=O)N1.

What is the InChIKey of 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile?

The InChIKey is ZYQBCGNYNODDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5OS.C23H18N6OS.C20H15N5O2S.C19H16N6OS/c1-14-21(23-28-20(13-31-23)16-8-6-15(12-25)7-9-16)22(29-24(30)27-14)18-10-11-26-19-5-3-2-4-17(18)19;1-13-19(22-27-17(12-31-22)15-9-7-14(11-24)8-10-15)20(28-23(30)25-13)21-26-16-5-3-4-6-18(16)29(21)2;1-11-17(18(25-20(27)23-11)14-6-7-16(26)22-9-14)19-24-15(10-28-19)13-4-2-12(8-21)3-5-13;1-11-15(16(24-19(26)22-11)17-21-7-8-25(17)2)18-23-14(10-27-18)13-5-3-12(9-20)4-6-13/h2-11,13,22H,1H3,(H2,27,29,30);3-10,12,20H,1-2H3,(H2,25,28,30);2-7,9-10,18H,1H3,(H,22,26)(H2,23,25,27);3-8,10,16H,1-2H3,(H2,22,24,26).

What are the key properties of 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile?

4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile has a molecular weight of 1615.89 g/mol, XLogP of 15.72, 12 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[6-methyl-4-(1-methylbenzimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-4-(1-methylimidazol-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-[6-methyl-2-oxo-4-(6-oxo-1H-pyridin-3-yl)-3,4-dihydro-1H-pyrimidin-5-yl]-1,3-thiazol-4-yl]benzonitrile;4-[2-(6-methyl-2-oxo-4-quinolin-4-yl-3,4-dihydro-1H-pyrimidin-5-yl)-1,3-thiazol-4-yl]benzonitrile is sourced from PubChem (CID 162256243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).