(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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one

C97H117Cl3N28O4 — CID 161296397

IUPAC(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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(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(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CCC2)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
InChIInChI=1S/C27H33N7O.C24H28ClN7O.2C23H28ClN7O/c1-18(2)22-15-32(3)26(35)34(22)24-10-13-28-25(30-24)31-27(11-5-12-27)23-16-33(17-29-23)21-7-4-6-20(14-21)19-8-9-19;1-15(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/h4,6-7,10,13-14,16-19,22H,5,8-9,11-12,15H2,1-3H3,(H,28,30,31);4-7,10-12,14-16,19,21H,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)/t22-;16-,21+;18-;16-,20+/m1010/s1
InChIKeyVHAJXIVREGDFLC-RLZGCEBPSA-N
MW1845.55 g/mol
LogP19.18
Rot. Bonds27

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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (PubChem CID 161296397) has the molecular formula C97H117Cl3N28O4 and a molecular weight of 1845.55 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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
PubChem CID161296397
Molecular FormulaC97H117Cl3N28O4
Molecular Weight1845.55 g/mol
Exact Mass1842.89
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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one
SMILESCC(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(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CCC2)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
InChIInChI=1S/C27H33N7O.C24H28ClN7O.2C23H28ClN7O/c1-18(2)22-15-32(3)26(35)34(22)24-10-13-28-25(30-24)31-27(11-5-12-27)23-16-33(17-29-23)21-7-4-6-20(14-21)19-8-9-19;1-15(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/h4,6-7,10,13-14,16-19,22H,5,8-9,11-12,15H2,1-3H3,(H,28,30,31);4-7,10-12,14-16,19,21H,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)/t22-;16-,21+;18-;16-,20+/m1010/s1
InChIKeyVHAJXIVREGDFLC-RLZGCEBPSA-N
XLogP19.18
TPSA316.72 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001845.55
LogP ≤ 519.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze (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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one with MolForge

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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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one (CID 161296397) 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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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(NC2(c3cn(-c4cccc(C5CC5)c4)cn3)CCC2)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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one?
The InChIKey is VHAJXIVREGDFLC-RLZGCEBPSA-N. The full InChI is InChI=1S/C27H33N7O.C24H28ClN7O.2C23H28ClN7O/c1-18(2)22-15-32(3)26(35)34(22)24-10-13-28-25(30-24)31-27(11-5-12-27)23-16-33(17-29-23)21-7-4-6-20(14-21)19-8-9-19;1-15(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/h4,6-7,10,13-14,16-19,22H,5,8-9,11-12,15H2,1-3H3,(H,28,30,31);4-7,10-12,14-16,19,21H,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)/t22-;16-,21+;18-;16-,20+/m1010/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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one has a molecular weight of 1845.55 g/mol, XLogP of 19.18, 27 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-[[1-[1-(3-cyclopropylphenyl)imidazol-4-yl]cyclobutyl]amino]pyrimidin-4-yl]-1-methyl-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 161296397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).