6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline

C26H19F3N4O — CID 44546002

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyGWWQYLLOZKEZBB-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.48
Rot. Bonds5

About 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline

6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 44546002) has the molecular formula C26H19F3N4O and a molecular weight of 460.46 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID44546002
Molecular FormulaC26H19F3N4O
Molecular Weight460.46 g/mol
Exact Mass460.15
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyGWWQYLLOZKEZBB-UHFFFAOYSA-N
XLogP6.48
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.46
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 44546002) is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is GWWQYLLOZKEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O/c1-16-5-2-9-22(31-16)25-24(19-10-11-21-18(15-19)7-4-12-30-21)32-23(33-25)14-17-6-3-8-20(13-17)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 460.46 g/mol, XLogP of 6.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44546002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).