(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one

C88H101Cl3F4N28O5 — CID 157139534

About (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one

(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 157139534) has the molecular formula C88H101Cl3F4N28O5 and a molecular weight of 1815.33 g/mol. Its IUPAC name is (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
• PubChem CID: 157139534
• Molecular Formula: C88H101Cl3F4N28O5
• Molecular Weight: 1815.33 g/mol
• Exact Mass: 1812.76
• IUPAC Name: (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one
• SMILES: CC(C)[C@H]1CN(C)C(=O)N1c1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)ncc1F.C[C@H](Nc1nccc(N2C(=O)N(C)C[C@@H]2[C@@H](C)O)n1)c1cn(-c2ccc(Cl)cc2)cn1.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(C(F)(F)F)cc4)cn3)n2)[C@H]1C(C)C.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(Cl)cc4)cn3)n2)[C@H]1C(C)C
• InChI: InChI=1S/C23H26F3N7O.C22H25ClFN7O.C22H26ClN7O.C21H24ClN7O2/c1-13(2)20-15(4)30-22(34)33(20)19-9-10-27-21(31-19)29-14(3)18-11-32(12-28-18)17-7-5-16(6-8-17)23(24,25)26;1-13(2)19-11-29(4)22(32)31(19)20-17(24)9-25-21(28-20)27-14(3)18-10-30(12-26-18)16-7-5-15(23)6-8-16;1-13(2)20-15(4)27-22(31)30(20)19-9-10-24-21(28-19)26-14(3)18-11-29(12-25-18)17-7-5-16(23)6-8-17;1-13(17-10-28(12-24-17)16-6-4-15(22)5-7-16)25-20-23-9-8-19(26-20)29-18(14(2)30)11-27(3)21(29)31/h5-15,20H,1-4H3,(H,30,34)(H,27,29,31);5-10,12-14,19H,11H2,1-4H3,(H,25,27,28);5-15,20H,1-4H3,(H,27,31)(H,24,26,28);4-10,12-14,18,30H,11H2,1-3H3,(H,23,25,26)/t14-,15?,20-;14-,19+;14-,15?,20-;13-,14+,18+/m0000/s1/i15D;;15D
• InChIKey: AKALPBNTGAFWEV-RJEZCNBDSA-N
• XLogP: 16.86
• TPSA: 354.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1815.33
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one (CID 157139534) is (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one.

What is the SMILES notation for (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is CC(C)[C@H]1CN(C)C(=O)N1c1nc(N[C@@H](C)c2cn(-c3ccc(Cl)cc3)cn2)ncc1F.C[C@H](Nc1nccc(N2C(=O)N(C)C[C@@H]2[C@@H](C)O)n1)c1cn(-c2ccc(Cl)cc2)cn1.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(C(F)(F)F)cc4)cn3)n2)[C@H]1C(C)C.[2H]C1(C)NC(=O)N(c2ccnc(N[C@@H](C)c3cn(-c4ccc(Cl)cc4)cn3)n2)[C@H]1C(C)C.

What is the InChIKey of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?

The InChIKey is AKALPBNTGAFWEV-RJEZCNBDSA-N. The full InChI is InChI=1S/C23H26F3N7O.C22H25ClFN7O.C22H26ClN7O.C21H24ClN7O2/c1-13(2)20-15(4)30-22(34)33(20)19-9-10-27-21(31-19)29-14(3)18-11-32(12-28-18)17-7-5-16(6-8-17)23(24,25)26;1-13(2)19-11-29(4)22(32)31(19)20-17(24)9-25-21(28-20)27-14(3)18-10-30(12-26-18)16-7-5-15(23)6-8-16;1-13(2)20-15(4)27-22(31)30(20)19-9-10-24-21(28-19)26-14(3)18-11-29(12-25-18)17-7-5-16(23)6-8-17;1-13(17-10-28(12-24-17)16-6-4-15(22)5-7-16)25-20-23-9-8-19(26-20)29-18(14(2)30)11-27(3)21(29)31/h5-15,20H,1-4H3,(H,30,34)(H,27,29,31);5-10,12-14,19H,11H2,1-4H3,(H,25,27,28);5-15,20H,1-4H3,(H,27,31)(H,24,26,28);4-10,12-14,18,30H,11H2,1-3H3,(H,23,25,26)/t14-,15?,20-;14-,19+;14-,15?,20-;13-,14+,18+/m0000/s1/i15D;;15D;.

What are the key properties of (4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one?

(4S)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 1815.33 g/mol, XLogP of 16.86, 24 rotatable bonds, 7 hydrogen bond donors, and 25 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]-5-fluoropyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-deuterio-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R)-3-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1-methylimidazolidin-2-one;(5S)-4-deuterio-4-methyl-5-propan-2-yl-1-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 157139534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).