(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

C92H115Cl3F2N28O4 — CID 158595771

About (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 158595771) has the molecular formula C92H115Cl3F2N28O4 and a molecular weight of 1821.48 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
• PubChem CID: 158595771
• Molecular Formula: C92H115Cl3F2N28O4
• Molecular Weight: 1821.48 g/mol
• Exact Mass: 1818.87
• IUPAC Name: (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
• SMILES: CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC(C)(C)c2cn(-c3ccc(Cl)cc3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(C3CCC(F)(F)CC3)cn2)n1.CC(C)[C@H]1CN(C2CC2)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)n1.CCN1C[C@H](C(C)C)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(Cl)cc4)cn3)n2)C1=O
• InChI: InChI=1S/C24H28ClN7O.2C23H28ClN7O.C22H31F2N7O/c1-15(2)21-13-31(19-8-9-19)24(33)32(21)22-10-11-26-23(29-22)28-16(3)20-12-30(14-27-20)18-6-4-17(25)5-7-18;1-15(2)18-12-29(5)22(32)31(18)20-10-11-25-21(27-20)28-23(3,4)19-13-30(14-26-19)17-8-6-16(24)7-9-17;1-5-29-13-20(15(2)3)31(23(29)32)21-10-11-25-22(28-21)27-16(4)19-12-30(14-26-19)18-8-6-17(24)7-9-18;1-14(2)18-12-29(4)21(32)31(18)19-7-10-25-20(28-19)27-15(3)17-11-30(13-26-17)16-5-8-22(23,24)9-6-16/h4-7,10-12,14-16,19,21H,8-9,13H2,1-3H3,(H,26,28,29);6-11,13-15,18H,12H2,1-5H3,(H,25,27,28);6-12,14-16,20H,5,13H2,1-4H3,(H,25,27,28);7,10-11,13-16,18H,5-6,8-9,12H2,1-4H3,(H,25,27,28)/t16-,21+;18-;16-,20+;15-,18+/m0100/s1
• InChIKey: HUZWJVJUWWNGOV-LBZPNQIBSA-N
• XLogP: 18.75
• TPSA: 316.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.48
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 158595771) is (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one.

What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC(C)(C)c2cn(-c3ccc(Cl)cc3)cn2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(C3CCC(F)(F)CC3)cn2)n1.CC(C)[C@H]1CN(C2CC2)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)n1.CCN1C[C@H](C(C)C)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(Cl)cc4)cn3)n2)C1=O.

What is the InChIKey of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The InChIKey is HUZWJVJUWWNGOV-LBZPNQIBSA-N. The full InChI is InChI=1S/C24H28ClN7O.2C23H28ClN7O.C22H31F2N7O/c1-15(2)21-13-31(19-8-9-19)24(33)32(21)22-10-11-26-23(29-22)28-16(3)20-12-30(14-27-20)18-6-4-17(25)5-7-18;1-15(2)18-12-29(5)22(32)31(18)20-10-11-25-21(27-20)28-23(3,4)19-13-30(14-26-19)17-8-6-16(24)7-9-17;1-5-29-13-20(15(2)3)31(23(29)32)21-10-11-25-22(28-21)27-16(4)19-12-30(14-26-19)18-8-6-17(24)7-9-18;1-14(2)18-12-29(4)21(32)31(18)19-7-10-25-20(28-19)27-15(3)17-11-30(13-26-17)16-5-8-22(23,24)9-6-16/h4-7,10-12,14-16,19,21H,8-9,13H2,1-3H3,(H,26,28,29);6-11,13-15,18H,12H2,1-5H3,(H,25,27,28);6-12,14-16,20H,5,13H2,1-4H3,(H,25,27,28);7,10-11,13-16,18H,5-6,8-9,12H2,1-4H3,(H,25,27,28)/t16-,21+;18-;16-,20+;15-,18+/m0100/s1.

What are the key properties of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 1821.48 g/mol, XLogP of 18.75, 26 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-cyclopropyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-ethyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[2-[1-(4-chlorophenyl)imidazol-4-yl]propan-2-ylamino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4,4-difluorocyclohexyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 158595771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).