6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole

C78H75Cl2F2N5O3S2 — CID 159557003

IUPAC6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole
SMILESCc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H9Cl.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H9NS.C8H7ClN2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-10-7-3-2-6(9)4-8(7)11-5/h2-7H,1H3;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;2-4H,1H3,(H,10,11)
InChIKeyMGCVPDFLUISNNF-UHFFFAOYSA-N
MW1303.53 g/mol
LogP23.70
Rot. Bonds

About 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole

6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole (PubChem CID 159557003) has the molecular formula C78H75Cl2F2N5O3S2 and a molecular weight of 1303.53 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole
PubChem CID159557003
Molecular FormulaC78H75Cl2F2N5O3S2
Molecular Weight1303.53 g/mol
Exact Mass1301.47
IUPAC Name6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole
SMILESCc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H9Cl.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H9NS.C8H7ClN2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-10-7-3-2-6(9)4-8(7)11-5/h2-7H,1H3;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;2-4H,1H3,(H,10,11)
InChIKeyMGCVPDFLUISNNF-UHFFFAOYSA-N
XLogP23.70
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.53
LogP ≤ 523.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
CID 141151485
5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane
CID 157412585
5-chloro-2-methyl-1,3-benzothiazole;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 157499249
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
CID 157718745
6-chloro-2-methyl-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
CID 158033089
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 158251982
5-chloro-2,6-dimethyl-1-benzofuran;5-chloro-2,6-dimethyl-1,3-benzothiazole;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;methane
CID 158371572
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
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;methane
CID 158761346
5-chloro-6-fluoro-2-methyl-1-benzofuran;5-chloro-6-fluoro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;2-chloro-6-methylnaphthalene;6-chloro-2-methylquinoline;methane
CID 159275788
6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-2,3-dihydro-1-benzofuran;methane;molecular hydrogen
CID 159878728

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole (CID 159557003) is 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole is Cc1cc2cc(C)c(F)cc2o1.Cc1ccc2c(c1)CC(C)O2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2nc(C)ccc2c1.Cc1ccc2oc(C)cc2c1.Cc1ccc2sc(C)nc2c1.Cc1nc2cc(C)c(F)cc2s1.Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?
The InChIKey is MGCVPDFLUISNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl.C11H11N.C10H9FO.C10H12O.C10H10O.C9H8FNS.C9H9NS.C8H7ClN2/c1-8-2-3-10-7-11(12)5-4-9(10)6-8;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;1-6-3-4-9-8(5-6)10-7(2)11-9;1-5-10-7-3-2-6(9)4-8(7)11-5/h2-7H,1H3;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;2-4H,1H3,(H,10,11).
What are the key properties of 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole?
6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole has a molecular weight of 1303.53 g/mol, XLogP of 23.70, 0 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1H-benzimidazole;2-chloro-6-methylnaphthalene;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-2,3-dihydro-1-benzofuran;2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1-benzofuran;6-fluoro-2,5-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 159557003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).