3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide

C109H100F6N20O7S4 — CID 158978745

About 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide

3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide (PubChem CID 158978745) has the molecular formula C109H100F6N20O7S4 and a molecular weight of 2044.39 g/mol. Its IUPAC name is 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide
• PubChem CID: 158978745
• Molecular Formula: C109H100F6N20O7S4
• Molecular Weight: 2044.39 g/mol
• Exact Mass: 2042.69
• IUPAC Name: 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide
• SMILES: CC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)s1.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C(N)=O)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cn(C)nc3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)c(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)c(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N
• InChI: InChI=1S/C28H23N3O2S.2C25H21F3N4OS.C17H18N4O2S.C14H17N5O/c1-19(32)24-15-16-25(34-24)21-10-8-9-20(17-21)18-31-26(33)28(30-27(31)29,22-11-4-2-5-12-22)23-13-6-3-7-14-23;2*1-24(20-11-17(13-34-20)15-6-4-5-14(9-15)12-29)21(22(33)32(3)23(30)31-24)16-7-8-18(19(26)10-16)25(2,27)28;1-17(8-14(22)21(2)16(19)20-17)13-7-12(9-24-13)10-4-3-5-11(6-10)15(18)23;1-14(7-12(20)19(3)13(15)16-14)10-5-4-9-8-18(2)17-11(9)6-10/h2-17H,18H2,1H3,(H2,29,30);2*4-11,13,21H,1-3H3,(H2,30,31);3-7,9H,8H2,1-2H3,(H2,18,23)(H2,19,20);4-6,8H,7H2,1-3H3,(H2,15,16)/t;21-,24+;21-,24-;17-;14-/m.0100/s1
• InChIKey: JOSMQRDQQTWXSG-RDWQKKQTSA-N
• XLogP: 18.74
• TPSA: 419.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.39
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide?

The IUPAC name of 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide (CID 158978745) is 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide.

What is the SMILES notation for 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide?

The canonical SMILES for 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide is CC(=O)c1ccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)s1.CN1C(=O)C[C@@](C)(c2cc(-c3cccc(C(N)=O)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(c2ccc3cn(C)nc3c2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)c(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)c(F)c2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.

What is the InChIKey of 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide?

The InChIKey is JOSMQRDQQTWXSG-RDWQKKQTSA-N. The full InChI is InChI=1S/C28H23N3O2S.2C25H21F3N4OS.C17H18N4O2S.C14H17N5O/c1-19(32)24-15-16-25(34-24)21-10-8-9-20(17-21)18-31-26(33)28(30-27(31)29,22-11-4-2-5-12-22)23-13-6-3-7-14-23;2*1-24(20-11-17(13-34-20)15-6-4-5-14(9-15)12-29)21(22(33)32(3)23(30)31-24)16-7-8-18(19(26)10-16)25(2,27)28;1-17(8-14(22)21(2)16(19)20-17)13-7-12(9-24-13)10-4-3-5-11(6-10)15(18)23;1-14(7-12(20)19(3)13(15)16-14)10-5-4-9-8-18(2)17-11(9)6-10/h2-17H,18H2,1H3,(H2,29,30);2*4-11,13,21H,1-3H3,(H2,30,31);3-7,9H,8H2,1-2H3,(H2,18,23)(H2,19,20);4-6,8H,7H2,1-3H3,(H2,15,16)/t;21-,24+;21-,24-;17-;14-/m.0100/s1.

What are the key properties of 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide?

3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide has a molecular weight of 2044.39 g/mol, XLogP of 18.74, 18 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(5-acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;3-[5-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-[4-(1,1-difluoroethyl)-3-fluorophenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(2-methylindazol-6-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzamide is sourced from PubChem (CID 158978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).