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

C26H19F3N4O — CID 44545508

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/c1-16-4-2-6-22(31-16)25-24(19-9-12-21-18(15-19)5-3-13-30-21)32-23(33-25)14-17-7-10-20(11-8-17)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyUAJZICMSENXOBK-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.48
Rot. Bonds5

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

6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 44545508) 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-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID44545508
Molecular FormulaC26H19F3N4O
Molecular Weight460.46 g/mol
Exact Mass460.15
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/c1-16-4-2-6-22(31-16)25-24(19-9-12-21-18(15-19)5-3-13-30-21)32-23(33-25)14-17-7-10-20(11-8-17)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyUAJZICMSENXOBK-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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 44545508) is 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is UAJZICMSENXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O/c1-16-4-2-6-22(31-16)25-24(19-9-12-21-18(15-19)5-3-13-30-21)32-23(33-25)14-17-7-10-20(11-8-17)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-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[5-(6-methyl-2-pyridinyl)-2-[[4-(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-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44545508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).