(4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one

C95H121BrClN29O5 — CID 158746724

About (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one

(4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 158746724) has the molecular formula C95H121BrClN29O5 and a molecular weight of 1864.57 g/mol. Its IUPAC name is (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
• PubChem CID: 158746724
• Molecular Formula: C95H121BrClN29O5
• Molecular Weight: 1864.57 g/mol
• Exact Mass: 1861.90
• IUPAC Name: (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one
• SMILES: CC(C)CCn1cnc([C@H](C)Nc2nccc(N3C(=O)N(C)C[C@@H]3C(C)C)n2)c1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C5CC5)c4)c(Br)n3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3ncn(-c4cccc(C5CC5)c4)n3)CC2)n1.COc1cc(-n2cnc([C@H](C)Nc3nccc(N4C(=O)N(C)C[C@@H]4C(C)C)n3)c2)ccc1Cl
• InChI: InChI=1S/C26H30BrN7O.C25H30N8O.C23H28ClN7O2.C21H33N7O/c1-16(2)20-14-32(3)25(35)34(20)22-9-12-28-24(30-22)31-26(10-11-26)21-15-33(23(27)29-21)19-6-4-5-18(13-19)17-7-8-17;1-16(2)20-14-31(3)24(34)33(20)21-9-12-26-23(28-21)29-25(10-11-25)22-27-15-32(30-22)19-6-4-5-18(13-19)17-7-8-17;1-14(2)19-12-29(4)23(32)31(19)21-8-9-25-22(28-21)27-15(3)18-11-30(13-26-18)16-6-7-17(24)20(10-16)33-5;1-14(2)8-10-27-11-17(23-13-27)16(5)24-20-22-9-7-19(25-20)28-18(15(3)4)12-26(6)21(28)29/h4-6,9,12-13,15-17,20H,7-8,10-11,14H2,1-3H3,(H,28,30,31);4-6,9,12-13,15-17,20H,7-8,10-11,14H2,1-3H3,(H,26,28,29);6-11,13-15,19H,12H2,1-5H3,(H,25,27,28);7,9,11,13-16,18H,8,10,12H2,1-6H3,(H,22,24,25)/t2*20-;15-,19+;16-,18+/m1100/s1
• InChIKey: IMZCKZIASHTEAW-BHARNVSISA-N
• XLogP: 17.41
• TPSA: 338.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1864.57
LogP ≤ 5	17.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?

The IUPAC name of (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one (CID 158746724) is (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one.

What is the SMILES notation for (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?

The canonical SMILES for (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one is CC(C)CCn1cnc([C@H](C)Nc2nccc(N3C(=O)N(C)C[C@@H]3C(C)C)n2)c1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3cn(-c4cccc(C5CC5)c4)c(Br)n3)CC2)n1.CC(C)[C@H]1CN(C)C(=O)N1c1ccnc(NC2(c3ncn(-c4cccc(C5CC5)c4)n3)CC2)n1.COc1cc(-n2cnc([C@H](C)Nc3nccc(N4C(=O)N(C)C[C@@H]4C(C)C)n3)c2)ccc1Cl.

What is the InChIKey of (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?

The InChIKey is IMZCKZIASHTEAW-BHARNVSISA-N. The full InChI is InChI=1S/C26H30BrN7O.C25H30N8O.C23H28ClN7O2.C21H33N7O/c1-16(2)20-14-32(3)25(35)34(20)22-9-12-28-24(30-22)31-26(10-11-26)21-15-33(23(27)29-21)19-6-4-5-18(13-19)17-7-8-17;1-16(2)20-14-31(3)24(34)33(20)21-9-12-26-23(28-21)29-25(10-11-25)22-27-15-32(30-22)19-6-4-5-18(13-19)17-7-8-17;1-14(2)19-12-29(4)23(32)31(19)21-8-9-25-22(28-21)27-15(3)18-11-30(13-26-18)16-6-7-17(24)20(10-16)33-5;1-14(2)8-10-27-11-17(23-13-27)16(5)24-20-22-9-7-19(25-20)28-18(15(3)4)12-26(6)21(28)29/h4-6,9,12-13,15-17,20H,7-8,10-11,14H2,1-3H3,(H,28,30,31);4-6,9,12-13,15-17,20H,7-8,10-11,14H2,1-3H3,(H,26,28,29);6-11,13-15,19H,12H2,1-5H3,(H,25,27,28);7,9,11,13-16,18H,8,10,12H2,1-6H3,(H,22,24,25)/t2*20-;15-,19+;16-,18+/m1100/s1.

What are the key properties of (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one?

(4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 1864.57 g/mol, XLogP of 17.41, 29 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-3-[2-[[1-[2-bromo-1-(3-cyclopropylphenyl)imidazol-4-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[(1S)-1-[1-(4-chloro-3-methoxyphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-3-[2-[[1-[1-(3-cyclopropylphenyl)-1,2,4-triazol-3-yl]cyclopropyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one;(4S)-1-methyl-3-[2-[[(1S)-1-[1-(3-methylbutyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 158746724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).