2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane

C81H85F2N5O3S2 — CID 158455137

IUPAC2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane
SMILESC.Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1
InChIInChI=1S/C12H12.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H10N2.C9H9NS.CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-3-8-4-7(2)12-10(8)5-9(6)11;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;/h3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;1H4
InChIKeyHEMBHGAJANRMMI-UHFFFAOYSA-N
MW1278.73 g/mol
LogP23.65
Rot. Bonds

About 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane

2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane (PubChem CID 158455137) has the molecular formula C81H85F2N5O3S2 and a molecular weight of 1278.73 g/mol. Its IUPAC name is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane.

Molecular Properties

Compound Name2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane
PubChem CID158455137
Molecular FormulaC81H85F2N5O3S2
Molecular Weight1278.73 g/mol
Exact Mass1277.61
IUPAC Name2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane
SMILESC.Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1
InChIInChI=1S/C12H12.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H10N2.C9H9NS.CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-3-8-4-7(2)12-10(8)5-9(6)11;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;/h3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;1H4
InChIKeyHEMBHGAJANRMMI-UHFFFAOYSA-N
XLogP23.65
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001278.73
LogP ≤ 523.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane with MolForge

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Related Compounds

CID 157388239
CID 157388239
CID 159393370
CID 159393370
4,7-Di(dibenzofuran-2-yl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425714
4,7-Bis(4-dibenzofuran-2-ylphenyl)-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425797
2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425856
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3-benzothiazole
CID 121425858
20-[8-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene
CID 129126319
7-Dibenzofuran-2-yl-3-[3-(3-phenylphenyl)quinoxalin-2-yl]-28-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.021,26]octacosa-1(17),2(10),4(9),5,7,11,13,15,18(27),19,21,23,25-tridecaene
CID 132080903
2-[8-[4-[7-(Benzimidazolo[1,2-c]quinazolin-6-yl)benzo[c]carbazol-10-yl]phenyl]dibenzofuran-2-yl]-6-[10-(4-dibenzothiophen-4-ylphenyl)benzo[c]carbazol-7-yl]benzimidazolo[1,2-c]quinazoline
CID 134513509
2-Ethyl-1-[4-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)anthracen-9-yl]phenyl]-5-[17-[10-[4-[1-phenyl-6-[17-[10-(6-phenyl-2-pyridinyl)anthracen-9-yl]-21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-4-yl]benzimidazol-2-yl]phenyl]anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-4-yl]benzimidazole
CID 135219116
9-[2-(2,3-Diphenylbenzimidazol-5-yl)-[1]benzothiolo[3,2-d]pyrimidin-4-yl]-14-naphtho[2,3-b][1]benzofuran-6-yl-24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaene
CID 137421578
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-pyrazin-2-yl-1,3-benzothiazole
CID 141050937

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane?
The IUPAC name of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane (CID 158455137) is 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane.
What is the SMILES notation for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane?
The canonical SMILES for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane is C.Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(C)ccc2c1.Cc1ccc2nc(C)[nH]c2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.
What is the InChIKey of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane?
The InChIKey is HEMBHGAJANRMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H10N2.C9H9NS.CH4/c1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-8-3-6-11-10(7-8)5-4-9(2)12-11;1-6-3-8-4-7(2)12-10(8)5-9(6)11;2*1-7-3-4-10-9(5-7)6-8(2)11-10;1-5-3-8-9(4-7(5)10)12-6(2)11-8;1-6-3-4-8-9(5-6)11-7(2)10-8;1-6-3-4-9-8(5-6)10-7(2)11-9;/h3-8H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-5,8H,6H2,1-2H3;3-6H,1-2H3;3-4H,1-2H3;3-5H,1-2H3,(H,10,11);3-5H,1-2H3;1H4.
What are the key properties of 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane?
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane has a molecular weight of 1278.73 g/mol, XLogP of 23.65, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylnaphthalene;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole;methane is sourced from PubChem (CID 158455137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).