(4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

C94H107Cl4FN28O4 — CID 157368529

About (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

(4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 157368529) has the molecular formula C94H107Cl4FN28O4 and a molecular weight of 1853.89 g/mol. Its IUPAC name is (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
• PubChem CID: 157368529
• Molecular Formula: C94H107Cl4FN28O4
• Molecular Weight: 1853.89 g/mol
• Exact Mass: 1850.78
• IUPAC Name: (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)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(NC2(c3cn(-c4cc(Cl)cc(C5CC5)c4)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cc(Cl)ccc4F)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4ccccc4Cl)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cccc(Cl)c3)cn2)n1
• InChI: InChI=1S/C26H30ClN7O.C23H25ClFN7O.C23H26ClN7O.C22H26ClN7O/c1-16(2)21-13-32(3)25(35)34(21)23-6-9-28-24(30-23)31-26(7-8-26)22-14-33(15-29-22)20-11-18(17-4-5-17)10-19(27)12-20;1-14(2)18-11-30(3)22(33)32(18)20-6-9-26-21(28-20)29-23(7-8-23)19-12-31(13-27-19)17-10-15(24)4-5-16(17)25;1-15(2)18-12-29(3)22(32)31(18)20-8-11-25-21(27-20)28-23(9-10-23)19-13-30(14-26-19)17-7-5-4-6-16(17)24;1-14(2)19-12-28(4)22(31)30(19)20-8-9-24-21(27-20)26-15(3)18-11-29(13-25-18)17-7-5-6-16(23)10-17/h6,9-12,14-17,21H,4-5,7-8,13H2,1-3H3,(H,28,30,31);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,28,29);4-8,11,13-15,18H,9-10,12H2,1-3H3,(H,25,27,28);5-11,13-15,19H,12H2,1-4H3,(H,24,26,27)/t21-;2*18-;15-,19+/m1110/s1
• InChIKey: BJMAFOKOSIWINK-FIQNJMDWSA-N
• XLogP: 18.34
• TPSA: 316.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.89
LogP ≤ 5	18.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 157368529) is (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)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-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)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(NC2(c3cn(-c4cc(Cl)cc(C5CC5)c4)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cc(Cl)ccc4F)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4ccccc4Cl)cn3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(N[C@@H](C)c2cn(-c3cccc(Cl)c3)cn2)n1.

What is the InChIKey of (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

The InChIKey is BJMAFOKOSIWINK-FIQNJMDWSA-N. The full InChI is InChI=1S/C26H30ClN7O.C23H25ClFN7O.C23H26ClN7O.C22H26ClN7O/c1-16(2)21-13-32(3)25(35)34(21)23-6-9-28-24(30-23)31-26(7-8-26)22-14-33(15-29-22)20-11-18(17-4-5-17)10-19(27)12-20;1-14(2)18-11-30(3)22(33)32(18)20-6-9-26-21(28-20)29-23(7-8-23)19-12-31(13-27-19)17-10-15(24)4-5-16(17)25;1-15(2)18-12-29(3)22(32)31(18)20-8-11-25-21(27-20)28-23(9-10-23)19-13-30(14-26-19)17-7-5-4-6-16(17)24;1-14(2)19-12-28(4)22(31)30(19)20-8-9-24-21(27-20)26-15(3)18-11-29(13-25-18)17-7-5-6-16(23)10-17/h6,9-12,14-17,21H,4-5,7-8,13H2,1-3H3,(H,28,30,31);4-6,9-10,12-14,18H,7-8,11H2,1-3H3,(H,26,28,29);4-8,11,13-15,18H,9-10,12H2,1-3H3,(H,25,27,28);5-11,13-15,19H,12H2,1-4H3,(H,24,26,27)/t21-;2*18-;15-,19+/m1110/s1.

What are the key properties of (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?

(4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 1853.89 g/mol, XLogP of 18.34, 25 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[2-[[1-[1-(3-chloro-5-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(5-chloro-2-fluorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(2-chlorophenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(3-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 157368529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).