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

C26H18F4N4 — CID 44545505

IUPAC6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H18F4N4/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,34)
InChIKeySPJMKJAXEJEEAI-UHFFFAOYSA-N
MW462.45 g/mol
LogP6.74
Rot. Bonds4

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

6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 44545505) has the molecular formula C26H18F4N4 and a molecular weight of 462.45 g/mol. Its IUPAC name is 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID44545505
Molecular FormulaC26H18F4N4
Molecular Weight462.45 g/mol
Exact Mass462.15
IUPAC Name6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H18F4N4/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,34)
InChIKeySPJMKJAXEJEEAI-UHFFFAOYSA-N
XLogP6.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 44545505) is 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3ccc(F)c(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is SPJMKJAXEJEEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N4/c1-15-4-2-6-22(32-15)25-24(18-8-10-21-17(14-18)5-3-11-31-21)33-23(34-25)13-16-7-9-20(27)19(12-16)26(28,29)30/h2-12,14H,13H2,1H3,(H,33,34).
What are the key properties of 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 462.45 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44545505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).