6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

C23H14F6N6O — CID 23654923

IUPAC6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3ccc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)cc3[nH]2)cc1
InChIInChI=1S/C23H14F6N6O/c24-22(25,26)12-1-3-13(4-2-12)32-21-33-16-6-5-14(9-17(16)34-21)36-15-7-8-30-18(10-15)20-31-11-19(35-20)23(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
InChIKeyUDNNLEQKNPVZON-UHFFFAOYSA-N
MW504.39 g/mol
LogP6.92
Rot. Bonds5

About 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine

6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (PubChem CID 23654923) has the molecular formula C23H14F6N6O and a molecular weight of 504.39 g/mol. Its IUPAC name is 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
PubChem CID23654923
Molecular FormulaC23H14F6N6O
Molecular Weight504.39 g/mol
Exact Mass504.11
IUPAC Name6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1ccc(Nc2nc3ccc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)cc3[nH]2)cc1
InChIInChI=1S/C23H14F6N6O/c24-22(25,26)12-1-3-13(4-2-12)32-21-33-16-6-5-14(9-17(16)34-21)36-15-7-8-30-18(10-15)20-31-11-19(35-20)23(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
InChIKeyUDNNLEQKNPVZON-UHFFFAOYSA-N
XLogP6.92
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.39
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine (CID 23654923) is 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is FC(F)(F)c1ccc(Nc2nc3ccc(Oc4ccnc(-c5ncc(C(F)(F)F)[nH]5)c4)cc3[nH]2)cc1.
What is the InChIKey of 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
The InChIKey is UDNNLEQKNPVZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F6N6O/c24-22(25,26)12-1-3-13(4-2-12)32-21-33-16-6-5-14(9-17(16)34-21)36-15-7-8-30-18(10-15)20-31-11-19(35-20)23(27,28)29/h1-11H,(H,31,35)(H2,32,33,34).
What are the key properties of 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine?
6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine has a molecular weight of 504.39 g/mol, XLogP of 6.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 23654923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).