1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea

C141H127Cl9F3N35O6 — CID 159886289

About 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea

1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 159886289) has the molecular formula C141H127Cl9F3N35O6 and a molecular weight of 2783.88 g/mol. Its IUPAC name is 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

• Compound Name: 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea
• PubChem CID: 159886289
• Molecular Formula: C141H127Cl9F3N35O6
• Molecular Weight: 2783.88 g/mol
• Exact Mass: 2777.79
• IUPAC Name: 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea
• SMILES: Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cccn4)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C(F)(F)F)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4CN)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4N)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(C(N)=O)c4)[nH]c3Cl)ccc12
• InChI: InChI=1S/C30H26Cl2N8O.C28H23Cl2F3N6O.C28H27Cl2N7O.C28H26ClN7O2.C27H25Cl2N7O/c1-18-23-10-8-20(16-24(23)39-38-18)27-28(32)37-29(36-27)25(14-19-6-3-2-4-7-19)35-30(41)33-17-21-15-22(31)9-11-26(21)40-13-5-12-34-40;1-15-20-9-7-17(13-22(20)39-38-15)24-25(30)37-26(36-24)23(11-16-5-3-2-4-6-16)35-27(40)34-14-18-12-19(29)8-10-21(18)28(31,32)33;1-16-22-10-8-18(13-23(22)37-36-16)25-26(30)35-27(34-25)24(11-17-5-3-2-4-6-17)33-28(38)32-15-20-12-21(29)9-7-19(20)14-31;1-16-21-11-10-19(14-22(21)36-35-16)24-25(29)34-27(33-24)23(13-17-6-3-2-4-7-17)32-28(38)31-15-18-8-5-9-20(12-18)26(30)37;1-15-20-9-7-17(13-22(20)36-35-15)24-25(29)34-26(33-24)23(11-16-5-3-2-4-6-16)32-27(37)31-14-18-12-19(28)8-10-21(18)30/h2-13,15-16,25H,14,17H2,1H3,(H,36,37)(H,38,39)(H2,33,35,41);2-10,12-13,23H,11,14H2,1H3,(H,36,37)(H,38,39)(H2,34,35,40);2-10,12-13,24H,11,14-15,31H2,1H3,(H,34,35)(H,36,37)(H2,32,33,38);2-12,14,23H,13,15H2,1H3,(H2,30,37)(H,33,34)(H,35,36)(H2,31,32,38);2-10,12-13,23H,11,14,30H2,1H3,(H,33,34)(H,35,36)(H2,31,32,37)/t25-;23-;24-;2*23-/m00000/s1
• InChIKey: NUEIDHAMLQRCHZ-BJEVYJCKSA-N
• XLogP: 30.45
• TPSA: 605.40 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 20
• Rotatable Bonds: 38
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.88
LogP ≤ 5	30.45
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea?

The IUPAC name of 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea (CID 159886289) is 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea.

What is the SMILES notation for 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea?

The canonical SMILES for 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea is Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4-n4cccn4)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4C(F)(F)F)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4CN)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cc(Cl)ccc4N)[nH]c3Cl)ccc12.Cc1[nH]nc2cc(-c3nc([C@H](Cc4ccccc4)NC(=O)NCc4cccc(C(N)=O)c4)[nH]c3Cl)ccc12.

What is the InChIKey of 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea?

The InChIKey is NUEIDHAMLQRCHZ-BJEVYJCKSA-N. The full InChI is InChI=1S/C30H26Cl2N8O.C28H23Cl2F3N6O.C28H27Cl2N7O.C28H26ClN7O2.C27H25Cl2N7O/c1-18-23-10-8-20(16-24(23)39-38-18)27-28(32)37-29(36-27)25(14-19-6-3-2-4-7-19)35-30(41)33-17-21-15-22(31)9-11-26(21)40-13-5-12-34-40;1-15-20-9-7-17(13-22(20)39-38-15)24-25(30)37-26(36-24)23(11-16-5-3-2-4-6-16)35-27(40)34-14-18-12-19(29)8-10-21(18)28(31,32)33;1-16-22-10-8-18(13-23(22)37-36-16)25-26(30)35-27(34-25)24(11-17-5-3-2-4-6-17)33-28(38)32-15-20-12-21(29)9-7-19(20)14-31;1-16-21-11-10-19(14-22(21)36-35-16)24-25(29)34-27(33-24)23(13-17-6-3-2-4-7-17)32-28(38)31-15-18-8-5-9-20(12-18)26(30)37;1-15-20-9-7-17(13-22(20)36-35-15)24-25(29)34-26(33-24)23(11-16-5-3-2-4-6-16)32-27(37)31-14-18-12-19(28)8-10-21(18)30/h2-13,15-16,25H,14,17H2,1H3,(H,36,37)(H,38,39)(H2,33,35,41);2-10,12-13,23H,11,14H2,1H3,(H,36,37)(H,38,39)(H2,34,35,40);2-10,12-13,24H,11,14-15,31H2,1H3,(H,34,35)(H,36,37)(H2,32,33,38);2-12,14,23H,13,15H2,1H3,(H2,30,37)(H,33,34)(H,35,36)(H2,31,32,38);2-10,12-13,23H,11,14,30H2,1H3,(H,33,34)(H,35,36)(H2,31,32,37)/t25-;23-;24-;2*23-/m00000/s1.

What are the key properties of 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea?

1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 2783.88 g/mol, XLogP of 30.45, 38 rotatable bonds, 23 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-amino-5-chlorophenyl)methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;1-[[2-(aminomethyl)-5-chlorophenyl]methyl]-3-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]urea;3-[[[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]carbamoylamino]methyl]benzamide;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[(5-chloro-2-pyrazol-1-ylphenyl)methyl]urea;1-[(1S)-1-[5-chloro-4-(3-methyl-2H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl]-3-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 159886289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).