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

C26H19F3N4 — CID 44546063

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4/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)26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyCZEOEFBGPFWNSN-UHFFFAOYSA-N
MW444.46 g/mol
LogP6.60
Rot. Bonds4

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

6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 44546063) has the molecular formula C26H19F3N4 and a molecular weight of 444.46 g/mol. Its IUPAC name is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID44546063
Molecular FormulaC26H19F3N4
Molecular Weight444.46 g/mol
Exact Mass444.16
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4/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)26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyCZEOEFBGPFWNSN-UHFFFAOYSA-N
XLogP6.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 44546063) is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cccc(C(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is CZEOEFBGPFWNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4/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)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-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline has a molecular weight of 444.46 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).