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

C26H19F3N4O — CID 44546002

IUPAC6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/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)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyGWWQYLLOZKEZBB-UHFFFAOYSA-N
MW460.46 g/mol
LogP6.48
Rot. Bonds5

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

6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (PubChem CID 44546002) 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-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
PubChem CID44546002
Molecular FormulaC26H19F3N4O
Molecular Weight460.46 g/mol
Exact Mass460.15
IUPAC Name6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1
InChIInChI=1S/C26H19F3N4O/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)34-26(27,28)29/h2-13,15H,14H2,1H3,(H,32,33)
InChIKeyGWWQYLLOZKEZBB-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

Analyze 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline with MolForge

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Related Compounds

6H-Pyrido(4,3-b)carbazole, 1-((3-aminopropyl)amino)-9-methoxy-5-methyl-, dihydrate
CID 135594
6H-Pyrido(4,3-b)carbazole, 1-((3-(4-aminopropyl-1-piperazinyl)propyl)amino)-9-methoxy-5-methyl-
CID 135608
1,3-Propanediamine, N-ethyl-N'-(9-methoxy-5-methyl-6H-pyrido(4,3-b)carbazol-1-yl)-
CID 3068868
1,3-Propanediamine, N'-(5,11-dimethyl-9-methoxy-6H-pyrido(4,3-b)carbazol-1-yl)-N-ethyl-
CID 3068869
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
8-N-cyclohexyl-2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386878
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
4-(7-fluoro-2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzo[d]imidazol-5-yl)pyrimidin-2-amine
CID 44129168
2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487360
2-N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-8-N-(2,2-dimethylpropyl)-6-methylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 73387151
N2-(4-(1,2-dimethyl-1H-imidazol-5-yl)-2-methoxyphenyl)-N8-neopentylpyrido[3,4-d]pyrimidine-2,8-diamine
CID 89996108
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675

Frequently Asked Questions

What is the IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The IUPAC name of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline (CID 44546002) is 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cccc(OC(F)(F)F)c3)nc2-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
The InChIKey is GWWQYLLOZKEZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O/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)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-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline?
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(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-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 44546002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).