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

C25H18F3N5O — CID 44545725

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H18F3N5O/c1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h2-12,14H,13H2,1H3,(H,32,33)
InChIKeyUSLPFXRMCJDERG-UHFFFAOYSA-N
MW461.45 g/mol
LogP5.88
Rot. Bonds5

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

6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (PubChem CID 44545725) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
PubChem CID44545725
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
SMILESCc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H18F3N5O/c1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h2-12,14H,13H2,1H3,(H,32,33)
InChIKeyUSLPFXRMCJDERG-UHFFFAOYSA-N
XLogP5.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]quinoxaline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline (CID 44545725) is 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline is Cc1cccc(-c2[nH]c(Cc3ccc(OC(F)(F)F)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
The InChIKey is USLPFXRMCJDERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-15-3-2-4-20(31-15)24-23(17-7-10-19-21(14-17)30-12-11-29-19)32-22(33-24)13-16-5-8-18(9-6-16)34-25(26,27)28/h2-12,14H,13H2,1H3,(H,32,33).
What are the key properties of 6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline?
6-[5-(6-methyl-2-pyridinyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline has a molecular weight of 461.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 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]quinoxaline is sourced from PubChem (CID 44545725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).