6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline

C40H33F3N6 — CID 145148967

IUPAC6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline
SMILESCC.Cc1cc(-c2ncn(C)c2-c2ccc3ncccc3c2)ccc1F.Fc1ccc(-c2nc[nH]c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H16FN3.C18H11F2N3.C2H6/c1-13-10-15(5-7-17(13)21)19-20(24(2)12-23-19)16-6-8-18-14(11-16)4-3-9-22-18;19-14-5-3-13(9-15(14)20)18-17(22-10-23-18)12-4-6-16-11(8-12)2-1-7-21-16;1-2/h3-12H,1-2H3;1-10H,(H,22,23);1-2H3
InChIKeyULPMOFUPKSGDME-UHFFFAOYSA-N
MW654.74 g/mol
LogP10.35
Rot. Bonds4

About 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline

6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline (PubChem CID 145148967) has the molecular formula C40H33F3N6 and a molecular weight of 654.74 g/mol. Its IUPAC name is 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline.

Molecular Properties

Compound Name6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline
PubChem CID145148967
Molecular FormulaC40H33F3N6
Molecular Weight654.74 g/mol
Exact Mass654.27
IUPAC Name6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline
SMILESCC.Cc1cc(-c2ncn(C)c2-c2ccc3ncccc3c2)ccc1F.Fc1ccc(-c2nc[nH]c2-c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C20H16FN3.C18H11F2N3.C2H6/c1-13-10-15(5-7-17(13)21)19-20(24(2)12-23-19)16-6-8-18-14(11-16)4-3-9-22-18;19-14-5-3-13(9-15(14)20)18-17(22-10-23-18)12-4-6-16-11(8-12)2-1-7-21-16;1-2/h3-12H,1-2H3;1-10H,(H,22,23);1-2H3
InChIKeyULPMOFUPKSGDME-UHFFFAOYSA-N
XLogP10.35
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.74
LogP ≤ 510.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline with MolForge

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Related Compounds

Urmc-099
CID 54764565
BI-9321
CID 138115329
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
5-(5-Fluoro-6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-amine
CID 44571364
8-fluoro-4-(pyridin-3-yl)-6-{1H-pyrrolo[2,3-b]pyridin-3-yl}quinoline
CID 135145482
3-(2-Tert-Butyl-5-(Pyridin-4-Yl)-1h-Imidazol-4-Yl)quinoline
CID 56928045
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
CID 71452298
[3-[4-(4-fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenyl]methanamine
CID 137648385
9-Ethyl-3-(9H-purin-8-yl)-9H-carbazole
CID 9972871
9-Ethyl-3-(4-methyl-5-pyridin-2-yl-1H-imidazol-2-yl)-9H-carbazole
CID 10020909
9-Ethyl-3-(3H-imidazo[4,5-b]pyridin-2-yl)-9H-carbazole
CID 10041217
9-Ethyl-3-(1H-imidazo[4,5-c]pyridin-2-yl)-9H-carbazole
CID 10245014

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline?
The IUPAC name of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline (CID 145148967) is 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline.
What is the SMILES notation for 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline?
The canonical SMILES for 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline is CC.Cc1cc(-c2ncn(C)c2-c2ccc3ncccc3c2)ccc1F.Fc1ccc(-c2nc[nH]c2-c2ccc3ncccc3c2)cc1F.
What is the InChIKey of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline?
The InChIKey is ULPMOFUPKSGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3.C18H11F2N3.C2H6/c1-13-10-15(5-7-17(13)21)19-20(24(2)12-23-19)16-6-8-18-14(11-16)4-3-9-22-18;19-14-5-3-13(9-15(14)20)18-17(22-10-23-18)12-4-6-16-11(8-12)2-1-7-21-16;1-2/h3-12H,1-2H3;1-10H,(H,22,23);1-2H3.
What are the key properties of 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline?
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline has a molecular weight of 654.74 g/mol, XLogP of 10.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]quinoline;ethane;6-[5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-yl]quinoline is sourced from PubChem (CID 145148967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).