N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C24H22ClF3N6 — CID 142123817

About N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 142123817) has the molecular formula C24H22ClF3N6 and a molecular weight of 486.93 g/mol. Its IUPAC name is N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

• Compound Name: N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
• PubChem CID: 142123817
• Molecular Formula: C24H22ClF3N6
• Molecular Weight: 486.93 g/mol
• Exact Mass: 486.15
• IUPAC Name: N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
• SMILES: Cc1cn(-c2ccc(NCCNc3ccc(C(F)(F)F)cn3)nc2-c2ccc(Cl)cc2C)cn1
• InChI: InChI=1S/C24H22ClF3N6/c1-15-11-18(25)4-5-19(15)23-20(34-13-16(2)32-14-34)6-8-22(33-23)30-10-9-29-21-7-3-17(12-31-21)24(26,27)28/h3-8,11-14H,9-10H2,1-2H3,(H,29,31)(H,30,33)
• InChIKey: DFTFHRSCALKNRO-UHFFFAOYSA-N
• XLogP: 6.14
• TPSA: 67.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.93
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?

The IUPAC name of N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 142123817) is N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

What is the SMILES notation for N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?

The canonical SMILES for N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is Cc1cn(-c2ccc(NCCNc3ccc(C(F)(F)F)cn3)nc2-c2ccc(Cl)cc2C)cn1.

What is the InChIKey of N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?

The InChIKey is DFTFHRSCALKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF3N6/c1-15-11-18(25)4-5-19(15)23-20(34-13-16(2)32-14-34)6-8-22(33-23)30-10-9-29-21-7-3-17(12-31-21)24(26,27)28/h3-8,11-14H,9-10H2,1-2H3,(H,29,31)(H,30,33).

What are the key properties of N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?

N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 486.93 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[6-(4-chloro-2-methylphenyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 142123817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).