2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline

C99H88N14OS — CID 158454050

IUPAC2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline
SMILESC1=C(c2ccccc2)N=C(CCc2ccc3ccccc3n2)C1.Cn1c(CCc2ccc3ccccc3n2)nc2ccccc21.Cn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3.C21H18N2.C19H17N3O.C19H17N3S.C19H17N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18;1-2-6-16(7-3-1)21-15-14-19(23-21)13-12-18-11-10-17-8-4-5-9-20(17)22-18;1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15;1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16;1-22-18-9-5-4-8-17(18)21-19(22)13-12-15-11-10-14-6-2-3-7-16(14)20-15/h2-12,15H,13-14H2,1H3;1-11,15H,12-14H2;2-9,12-13H,10-11H2,1H3;2-7,10-13H,8-9H2,1H3;2-11H,12-13H2,1H3
InChIKeyHEIUMKZVZCUZHV-UHFFFAOYSA-N
MW1521.96 g/mol
LogP21.88
Rot. Bonds19

About 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline

2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline (PubChem CID 158454050) has the molecular formula C99H88N14OS and a molecular weight of 1521.96 g/mol. Its IUPAC name is 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline
PubChem CID158454050
Molecular FormulaC99H88N14OS
Molecular Weight1521.96 g/mol
Exact Mass1520.70
IUPAC Name2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline
SMILESC1=C(c2ccccc2)N=C(CCc2ccc3ccccc3n2)C1.Cn1c(CCc2ccc3ccccc3n2)nc2ccccc21.Cn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3.C21H18N2.C19H17N3O.C19H17N3S.C19H17N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18;1-2-6-16(7-3-1)21-15-14-19(23-21)13-12-18-11-10-17-8-4-5-9-20(17)22-18;1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15;1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16;1-22-18-9-5-4-8-17(18)21-19(22)13-12-15-11-10-14-6-2-3-7-16(14)20-15/h2-12,15H,13-14H2,1H3;1-11,15H,12-14H2;2-9,12-13H,10-11H2,1H3;2-7,10-13H,8-9H2,1H3;2-11H,12-13H2,1H3
InChIKeyHEIUMKZVZCUZHV-UHFFFAOYSA-N
XLogP21.88
TPSA161.23 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.96
LogP ≤ 521.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline with MolForge

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Related Compounds

CID 157363891
CID 157363891
N,N-bis[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N,N-bis[3-[2-(2,6-dimethylphenyl)thieno[3,2-c]pyridin-4-yl]-5-phenylbenzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-(1-methylbenzimidazol-2-yl)benzene-2-id-1-yl]-3-phenyl-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)furo[3,2-c]pyridin-4-yl]benzene-6-id-1-amine;tetrakis(platinum(2+))
CID 157550492
CID 157614888
CID 157614888
3-(2,5-Dimethylfuran-3-yl)-2,6,7-trimethylimidazo[4,5-b]pyridine;2,7-dimethyl-3-thiophen-3-ylimidazo[4,5-c]isoquinoline;2-ethyl-3-(5-methylthiophen-3-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(furan-3-yl)-2,6-dimethylimidazo[4,5-b]pyridine;3-(5-methylfuran-3-yl)-2-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine;3-(5-methylfuran-3-yl)-2-phenyl-7-(trifluoromethyl)imidazo[4,5-c]isoquinoline;3-thiophen-3-ylimidazo[4,5-b]pyridine;3-thiophen-3-ylimidazo[4,5-b]quinoline;trimethyl-[2-methyl-3-(5-methylthiophen-3-yl)imidazo[4,5-b]pyridin-6-yl]silane;trimethyl-(2-methyl-3-thiophen-3-ylimidazo[4,5-b]pyridin-6-yl)silane
CID 158564451
6-Tert-butyl-3-(4-methylthiophen-3-yl)-5-phenylimidazo[4,5-b]pyridine;3-(4,5-dimethylfuran-3-yl)imidazo[4,5-b]pyridine;3-(3,4-dimethylphenyl)-2,6-bis(trifluoromethyl)imidazo[4,5-b]pyridine;2,6-di(propan-2-yl)-3-thiophen-3-ylimidazo[4,5-b]pyridine;2-ethyl-6-methyl-3-(5-methylthiophen-3-yl)imidazo[4,5-b]pyridine;3-(furan-3-yl)-2,6-dimethylimidazo[4,5-b]pyridine;3-(furan-3-yl)-2,6-di(propan-2-yl)imidazo[4,5-b]pyridine;2-methyl-3-(5-methylthiophen-3-yl)-6-phenylimidazo[4,5-b]pyridine;3-(4-methylphenyl)-2-phenyl-7-(trifluoromethyl)imidazo[4,5-c]isoquinoline
CID 159358416
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
2-Phenyl-4-(3-thia-12,15,24-triazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(24),2(10),4,6,8,11,13,16,18,20,22-undecaen-15-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 118506487
2-(1-Benzofuran-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;2-(1-benzothiophen-2-yl)-7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidine;7-(4-fluoropiperidin-1-yl)-2-thiophen-3-ylimidazo[1,2-a]pyrimidine
CID 126740829
6-[2-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]carbazol-9-yl]imidazo[1,2-a]pyridin-7-yl]-8-[3-(9-imidazo[1,2-a]pyridin-2-ylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 129253560

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline (CID 158454050) is 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline is C1=C(c2ccccc2)N=C(CCc2ccc3ccccc3n2)C1.Cn1c(CCc2ccc3ccccc3n2)nc2ccccc21.Cn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccco2)nc1CCc1ccc2ccccc2n1.Cn1cc(-c2ccsc2)nc1CCc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline?
The InChIKey is HEIUMKZVZCUZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3.C21H18N2.C19H17N3O.C19H17N3S.C19H17N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18;1-2-6-16(7-3-1)21-15-14-19(23-21)13-12-18-11-10-17-8-4-5-9-20(17)22-18;1-22-13-17(18-7-4-12-23-18)21-19(22)11-10-15-9-8-14-5-2-3-6-16(14)20-15;1-22-12-18(15-10-11-23-13-15)21-19(22)9-8-16-7-6-14-4-2-3-5-17(14)20-16;1-22-18-9-5-4-8-17(18)21-19(22)13-12-15-11-10-14-6-2-3-7-16(14)20-15/h2-12,15H,13-14H2,1H3;1-11,15H,12-14H2;2-9,12-13H,10-11H2,1H3;2-7,10-13H,8-9H2,1H3;2-11H,12-13H2,1H3.
What are the key properties of 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline?
2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline has a molecular weight of 1521.96 g/mol, XLogP of 21.88, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]quinoline;2-[2-(1-methylbenzimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline;2-[2-(1-methyl-4-thiophen-3-ylimidazol-2-yl)ethyl]quinoline;2-[2-(5-phenyl-3H-pyrrol-2-yl)ethyl]quinoline is sourced from PubChem (CID 158454050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).