1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea

C149H117Cl4F18N33O7S6 — CID 172929021

About 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea

1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea (PubChem CID 172929021) has the molecular formula C149H117Cl4F18N33O7S6 and a molecular weight of 3157.98 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea.

Molecular Properties

• Compound Name: 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea
• PubChem CID: 172929021
• Molecular Formula: C149H117Cl4F18N33O7S6
• Molecular Weight: 3157.98 g/mol
• Exact Mass: 3153.66
• IUPAC Name: 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea
• SMILES: COc1ccc(NC(=S)N/N=C/c2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)cc1.COc1ccc(NC(=S)N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C(C)C)c1.COc1ccc(NC(=S)N/N=C/c2ccc(-n3cnc(-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1.Cc1ccnc(C)c1NC(=S)N/N=C/c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.FC(F)(F)Oc1ccc(-n2cnc(-c3ccc(/C=N/NC(=S)Nc4c(Cl)cccc4Cl)cc3)c2)cc1.FC(F)(F)c1ccc(-c2cn(-c3ccc(/C=N/NC(=S)Nc4c(Cl)cccc4Cl)cc3)cn2)cc1
• InChI: InChI=1S/C27H25F3N6O2S.C25H20F3N5O2S.C25H20F3N5OS.C24H16Cl2F3N5OS.C24H16Cl2F3N5S.C24H20F3N7OS/c1-17(2)23-14-22(37-3)12-13-24(23)33-26(39)34-32-15-18-4-6-19(7-5-18)25-31-16-36(35-25)20-8-10-21(11-9-20)38-27(28,29)30;1-34-21-10-6-19(7-11-21)31-24(36)32-30-14-17-2-4-18(5-3-17)23-15-33(16-29-23)20-8-12-22(13-9-20)35-25(26,27)28;1-34-22-12-8-20(9-13-22)31-24(35)32-30-14-17-2-10-21(11-3-17)33-15-23(29-16-33)18-4-6-19(7-5-18)25(26,27)28;25-19-2-1-3-20(26)22(19)32-23(36)33-31-12-15-4-6-16(7-5-15)21-13-34(14-30-21)17-8-10-18(11-9-17)35-24(27,28)29;25-19-2-1-3-20(26)22(19)32-23(35)33-31-12-15-4-10-18(11-5-15)34-13-21(30-14-34)16-6-8-17(9-7-16)24(27,28)29;1-15-11-12-28-16(2)21(15)31-23(36)32-30-13-17-3-5-18(6-4-17)22-29-14-34(33-22)19-7-9-20(10-8-19)35-24(25,26)27/h4-17H,1-3H3,(H2,33,34,39);2-16H,1H3,(H2,31,32,36);2-16H,1H3,(H2,31,32,35);1-14H,(H2,32,33,36);1-14H,(H2,32,33,35);3-14H,1-2H3,(H2,31,32,36)/b32-15+;2*30-14+;2*31-12+;30-13+
• InChIKey: SBLBKZDMHOHKKR-PJFCRXRFSA-N
• XLogP: 37.36
• TPSA: 428.72 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 34
• Rotatable Bonds: 38
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3157.98
LogP ≤ 5	37.36
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea?

The IUPAC name of 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea (CID 172929021) is 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea.

What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea?

The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea is COc1ccc(NC(=S)N/N=C/c2ccc(-c3cn(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)cc1.COc1ccc(NC(=S)N/N=C/c2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c(C(C)C)c1.COc1ccc(NC(=S)N/N=C/c2ccc(-n3cnc(-c4ccc(C(F)(F)F)cc4)c3)cc2)cc1.Cc1ccnc(C)c1NC(=S)N/N=C/c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.FC(F)(F)Oc1ccc(-n2cnc(-c3ccc(/C=N/NC(=S)Nc4c(Cl)cccc4Cl)cc3)c2)cc1.FC(F)(F)c1ccc(-c2cn(-c3ccc(/C=N/NC(=S)Nc4c(Cl)cccc4Cl)cc3)cn2)cc1.

What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea?

The InChIKey is SBLBKZDMHOHKKR-PJFCRXRFSA-N. The full InChI is InChI=1S/C27H25F3N6O2S.C25H20F3N5O2S.C25H20F3N5OS.C24H16Cl2F3N5OS.C24H16Cl2F3N5S.C24H20F3N7OS/c1-17(2)23-14-22(37-3)12-13-24(23)33-26(39)34-32-15-18-4-6-19(7-5-18)25-31-16-36(35-25)20-8-10-21(11-9-20)38-27(28,29)30;1-34-21-10-6-19(7-11-21)31-24(36)32-30-14-17-2-4-18(5-3-17)23-15-33(16-29-23)20-8-12-22(13-9-20)35-25(26,27)28;1-34-22-12-8-20(9-13-22)31-24(35)32-30-14-17-2-10-21(11-3-17)33-15-23(29-16-33)18-4-6-19(7-5-18)25(26,27)28;25-19-2-1-3-20(26)22(19)32-23(36)33-31-12-15-4-6-16(7-5-15)21-13-34(14-30-21)17-8-10-18(11-9-17)35-24(27,28)29;25-19-2-1-3-20(26)22(19)32-23(35)33-31-12-15-4-10-18(11-5-15)34-13-21(30-14-34)16-6-8-17(9-7-16)24(27,28)29;1-15-11-12-28-16(2)21(15)31-23(36)32-30-13-17-3-5-18(6-4-17)22-29-14-34(33-22)19-7-9-20(10-8-19)35-24(25,26)27/h4-17H,1-3H3,(H2,33,34,39);2-16H,1H3,(H2,31,32,36);2-16H,1H3,(H2,31,32,35);1-14H,(H2,32,33,36);1-14H,(H2,32,33,35);3-14H,1-2H3,(H2,31,32,36)/b32-15+;2*30-14+;2*31-12+;30-13+.

What are the key properties of 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea?

1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea has a molecular weight of 3157.98 g/mol, XLogP of 37.36, 38 rotatable bonds, 12 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-dichlorophenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(2,6-dichlorophenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(2,4-dimethyl-3-pyridinyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]phenyl]methylideneamino]thiourea;1-(4-methoxyphenyl)-3-[(E)-[4-[4-[4-(trifluoromethyl)phenyl]imidazol-1-yl]phenyl]methylideneamino]thiourea;1-(4-methoxy-2-propan-2-ylphenyl)-3-[(E)-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]methylideneamino]thiourea is sourced from PubChem (CID 172929021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).