1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

C53H46ClF3N14O4S2 — CID 123385362

About 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one

1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (PubChem CID 123385362) has the molecular formula C53H46ClF3N14O4S2 and a molecular weight of 1099.63 g/mol. Its IUPAC name is 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
• PubChem CID: 123385362
• Molecular Formula: C53H46ClF3N14O4S2
• Molecular Weight: 1099.63 g/mol
• Exact Mass: 1098.29
• IUPAC Name: 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
• SMILES: Nc1nccc(-c2nc(N3CCOC(c4cc(-c5nc(N6CCOCC6)sc5-c5cccc(N6CCN(c7ccc(Cl)cc7)C6=O)c5)nc(N)n4)C3)sc2-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)n1
• InChI: InChI=1S/C53H46ClF3N14O4S2/c54-34-9-13-36(14-10-34)69-18-20-71(52(69)73)38-6-2-4-32(28-38)46-44(65-49(76-46)66-21-24-74-25-22-66)41-29-40(62-48(59)63-41)42-30-67(23-26-75-42)50-64-43(39-15-16-60-47(58)61-39)45(77-50)31-3-1-5-37(27-31)70-19-17-68(51(70)72)35-11-7-33(8-12-35)53(55,56)57/h1-16,27-29,42H,17-26,30H2,(H2,58,60,61)(H2,59,62,63)
• InChIKey: GDJCSONZURCFEZ-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 201.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1099.63
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The IUPAC name of 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one (CID 123385362) is 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is Nc1nccc(-c2nc(N3CCOC(c4cc(-c5nc(N6CCOCC6)sc5-c5cccc(N6CCN(c7ccc(Cl)cc7)C6=O)c5)nc(N)n4)C3)sc2-c2cccc(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)c2)n1.

What is the InChIKey of 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

The InChIKey is GDJCSONZURCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46ClF3N14O4S2/c54-34-9-13-36(14-10-34)69-18-20-71(52(69)73)38-6-2-4-32(28-38)46-44(65-49(76-46)66-21-24-74-25-22-66)41-29-40(62-48(59)63-41)42-30-67(23-26-75-42)50-64-43(39-15-16-60-47(58)61-39)45(77-50)31-3-1-5-37(27-31)70-19-17-68(51(70)72)35-11-7-33(8-12-35)53(55,56)57/h1-16,27-29,42H,17-26,30H2,(H2,58,60,61)(H2,59,62,63).

What are the key properties of 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one?

1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one has a molecular weight of 1099.63 g/mol, XLogP of 9.99, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]phenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 123385362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).