2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol

C26H18F6N6O — CID 126752337

IUPAC2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol
SMILESCc1cnc(-c2ccc(C(F)(F)F)nc2)n1C(c1ccccc1O)n1ccnc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H18F6N6O/c1-15-12-36-23(17-7-9-21(35-14-17)26(30,31)32)38(15)24(18-4-2-3-5-19(18)39)37-11-10-33-22(37)16-6-8-20(34-13-16)25(27,28)29/h2-14,24,39H,1H3
InChIKeyAGZZRFLNWNGBPP-UHFFFAOYSA-N
MW544.46 g/mol
LogP6.35
Rot. Bonds5

About 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol

2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol (PubChem CID 126752337) has the molecular formula C26H18F6N6O and a molecular weight of 544.46 g/mol. Its IUPAC name is 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol
PubChem CID126752337
Molecular FormulaC26H18F6N6O
Molecular Weight544.46 g/mol
Exact Mass544.14
IUPAC Name2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol
SMILESCc1cnc(-c2ccc(C(F)(F)F)nc2)n1C(c1ccccc1O)n1ccnc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C26H18F6N6O/c1-15-12-36-23(17-7-9-21(35-14-17)26(30,31)32)38(15)24(18-4-2-3-5-19(18)39)37-11-10-33-22(37)16-6-8-20(34-13-16)25(27,28)29/h2-14,24,39H,1H3
InChIKeyAGZZRFLNWNGBPP-UHFFFAOYSA-N
XLogP6.35
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.46
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol (CID 126752337) is 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol is Cc1cnc(-c2ccc(C(F)(F)F)nc2)n1C(c1ccccc1O)n1ccnc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol?
The InChIKey is AGZZRFLNWNGBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F6N6O/c1-15-12-36-23(17-7-9-21(35-14-17)26(30,31)32)38(15)24(18-4-2-3-5-19(18)39)37-11-10-33-22(37)16-6-8-20(34-13-16)25(27,28)29/h2-14,24,39H,1H3.
What are the key properties of 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol?
2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol has a molecular weight of 544.46 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-[2-[6-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 126752337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).