2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

C96H87Cl5F3N25O5S — CID 157166918

About 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 157166918) has the molecular formula C96H87Cl5F3N25O5S and a molecular weight of 1937.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• PubChem CID: 157166918
• Molecular Formula: C96H87Cl5F3N25O5S
• Molecular Weight: 1937.25 g/mol
• Exact Mass: 1933.54
• IUPAC Name: 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
• SMILES: CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1.O=C1NCCN1CCNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)ccc2Cl)n1
• InChI: InChI=1S/C26H21F3N6O.C25H23ClN6O.C24H22Cl2N6O2S.C21H21Cl2N7O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29;1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15;1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14;22-13-3-4-15(23)14(11-13)17-18(29-19(28-17)12-1-2-12)16-5-6-24-20(27-16)25-7-9-30-10-8-26-21(30)31/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36);2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30);2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29);3-6,11-12H,1-2,7-10H2,(H,26,31)(H,28,29)(H,24,25,27)
• InChIKey: ANAGHALSAWTVSQ-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 394.71 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1937.25
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The IUPAC name of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea (CID 157166918) is 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The canonical SMILES for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1.CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1.O=C1NCCN1CCNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)ccc2Cl)n1.

What is the InChIKey of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

The InChIKey is ANAGHALSAWTVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O.C25H23ClN6O.C24H22Cl2N6O2S.C21H21Cl2N7O/c1-2-35-15-22(20-10-12-30-24-21(20)11-13-31-24)23(34-35)16-4-3-5-19(14-16)33-25(36)32-18-8-6-17(7-9-18)26(27,28)29;1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15;1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14;22-13-3-4-15(23)14(11-13)17-18(29-19(28-17)12-1-2-12)16-5-6-24-20(27-16)25-7-9-30-10-8-26-21(30)31/h3-15H,2H2,1H3,(H,30,31)(H2,32,33,36);2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30);2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29);3-6,11-12H,1-2,7-10H2,(H,26,31)(H,28,29)(H,24,25,27).

What are the key properties of 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea?

2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 1937.25 g/mol, XLogP of 21.92, 27 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[2-[[4-[2-cyclopropyl-4-(2,5-dichlorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]ethyl]imidazolidin-2-one;N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]-1-(3,4-dichlorophenyl)methanesulfonamide;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 157166918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).