N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

C46H36Cl4F6N12 — CID 87779196

About N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 87779196) has the molecular formula C46H36Cl4F6N12 and a molecular weight of 1012.68 g/mol. Its IUPAC name is N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 87779196
• Molecular Formula: C46H36Cl4F6N12
• Molecular Weight: 1012.68 g/mol
• Exact Mass: 1010.18
• IUPAC Name: N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1cnc(-c2ccc(N(CCNc3ccc(C(F)(F)F)cn3)N(CCNc3ccc(C(F)(F)F)cn3)c3ccc(-c4ncc(C)[nH]4)c(-c4ccc(Cl)cc4Cl)n3)nc2-c2ccc(Cl)cc2Cl)[nH]1
• InChI: InChI=1S/C46H36Cl4F6N12/c1-25-21-61-43(63-25)33-9-13-39(65-41(33)31-7-5-29(47)19-35(31)49)67(17-15-57-37-11-3-27(23-59-37)45(51,52)53)68(18-16-58-38-12-4-28(24-60-38)46(54,55)56)40-14-10-34(44-62-22-26(2)64-44)42(66-40)32-8-6-30(48)20-36(32)50/h3-14,19-24H,15-18H2,1-2H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64)
• InChIKey: MONSQEDCNIMVOB-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 139.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1012.68
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 87779196) is N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cc1cnc(-c2ccc(N(CCNc3ccc(C(F)(F)F)cn3)N(CCNc3ccc(C(F)(F)F)cn3)c3ccc(-c4ncc(C)[nH]4)c(-c4ccc(Cl)cc4Cl)n3)nc2-c2ccc(Cl)cc2Cl)[nH]1.

What is the InChIKey of N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?

The InChIKey is MONSQEDCNIMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36Cl4F6N12/c1-25-21-61-43(63-25)33-9-13-39(65-41(33)31-7-5-29(47)19-35(31)49)67(17-15-57-37-11-3-27(23-59-37)45(51,52)53)68(18-16-58-38-12-4-28(24-60-38)46(54,55)56)40-14-10-34(44-62-22-26(2)64-44)42(66-40)32-8-6-30(48)20-36(32)50/h3-14,19-24H,15-18H2,1-2H3,(H,57,59)(H,58,60)(H,61,63)(H,62,64).

What are the key properties of N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine?

N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1012.68 g/mol, XLogP of 13.10, 15 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[[6-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]amino]amino]ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 87779196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).