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

C26H20F3N5 — CID 70234717

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H20F3N5/c1-15-6-7-17(12-19(15)26(27,28)29)13-23-33-24(25(34-23)21-5-3-4-16(2)32-21)18-8-9-20-22(14-18)31-11-10-30-20/h3-12,14H,13H2,1-2H3,(H,33,34)
InChIKeyJQVXWSGZAOAWFC-UHFFFAOYSA-N
MW459.48 g/mol
LogP6.31
Rot. Bonds4

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

6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (PubChem CID 70234717) has the molecular formula C26H20F3N5 and a molecular weight of 459.48 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
PubChem CID70234717
Molecular FormulaC26H20F3N5
Molecular Weight459.48 g/mol
Exact Mass459.17
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H20F3N5/c1-15-6-7-17(12-19(15)26(27,28)29)13-23-33-24(25(34-23)21-5-3-4-16(2)32-21)18-8-9-20-22(14-18)31-11-10-30-20/h3-12,14H,13H2,1-2H3,(H,33,34)
InChIKeyJQVXWSGZAOAWFC-UHFFFAOYSA-N
XLogP6.31
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.48
LogP ≤ 56.31
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-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (CID 70234717) is 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is Cc1cccc(-c2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The InChIKey is JQVXWSGZAOAWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5/c1-15-6-7-17(12-19(15)26(27,28)29)13-23-33-24(25(34-23)21-5-3-4-16(2)32-21)18-8-9-20-22(14-18)31-11-10-30-20/h3-12,14H,13H2,1-2H3,(H,33,34).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline has a molecular weight of 459.48 g/mol, XLogP of 6.31, 4 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-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is sourced from PubChem (CID 70234717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).