1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

C25H20F6N6O — CID 89039695

About 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 89039695) has the molecular formula C25H20F6N6O and a molecular weight of 534.46 g/mol. Its IUPAC name is 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

• Compound Name: 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
• PubChem CID: 89039695
• Molecular Formula: C25H20F6N6O
• Molecular Weight: 534.46 g/mol
• Exact Mass: 534.16
• IUPAC Name: 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
• SMILES: CCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc21
• InChI: InChI=1S/C25H20F6N6O/c1-2-37-20-8-7-16(11-18(20)35-23(37)34-15-5-3-14(4-6-15)24(26,27)28)38-17-9-10-32-19(12-17)22-33-13-21(36-22)25(29,30)31/h3-12,21H,2,13H2,1H3,(H,33,36)(H,34,35)
• InChIKey: WAVNDRUEZYTGND-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 76.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.46
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The IUPAC name of 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 89039695) is 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

What is the SMILES notation for 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The canonical SMILES for 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is CCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(C4=NCC(C(F)(F)F)N4)c3)ccc21.

What is the InChIKey of 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

The InChIKey is WAVNDRUEZYTGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N6O/c1-2-37-20-8-7-16(11-18(20)35-23(37)34-15-5-3-14(4-6-15)24(26,27)28)38-17-9-10-32-19(12-17)22-33-13-21(36-22)25(29,30)31/h3-12,21H,2,13H2,1H3,(H,33,36)(H,34,35).

What are the key properties of 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?

1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 534.46 g/mol, XLogP of 6.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-5-[[2-[5-(trifluoromethyl)-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 89039695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).