2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

C242H215BrCl14N14O12S17 — CID 158578710

IUPAC2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)cnc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2ccc(C)cc2c1.COc1ccc2nc(C)sc2c1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1ccc2sc(C)nc2c1.COc1cnc2cc(C)sc2c1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2oc(C)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/2C12H12O.C11H9Br.2C11H9Cl.C11H11NO.C10H8ClN.2C10H10OS.C10H10O.C9H7ClO.C9H7ClS2.2C9H7ClS.5C9H9NOS.C8H7ClN2.5C8H6ClNS.C5H5ClS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-3-5(6)7-4/h2*3-8H,1-2H3;3*2-7H,1H3;3-7H,1-2H3;2-6H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;5*3-5H,1-2H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;2-3H,1H3
InChIKeyHSZBMRJMHYDDGI-UHFFFAOYSA-N
MW4632.85 g/mol
LogP83.21
Rot. Bonds11

About 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine

2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (PubChem CID 158578710) has the molecular formula C242H215BrCl14N14O12S17 and a molecular weight of 4632.85 g/mol. Its IUPAC name is 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
PubChem CID158578710
Molecular FormulaC242H215BrCl14N14O12S17
Molecular Weight4632.85 g/mol
Exact Mass4620.67
IUPAC Name2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine
SMILESCOc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)cnc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2ccc(C)cc2c1.COc1ccc2nc(C)sc2c1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1ccc2sc(C)nc2c1.COc1cnc2cc(C)sc2c1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2oc(C)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1
InChIInChI=1S/2C12H12O.C11H9Br.2C11H9Cl.C11H11NO.C10H8ClN.2C10H10OS.C10H10O.C9H7ClO.C9H7ClS2.2C9H7ClS.5C9H9NOS.C8H7ClN2.5C8H6ClNS.C5H5ClS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-3-5(6)7-4/h2*3-8H,1-2H3;3*2-7H,1H3;3-7H,1-2H3;2-6H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;5*3-5H,1-2H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;2-3H,1H3
InChIKeyHSZBMRJMHYDDGI-UHFFFAOYSA-N
XLogP83.21
TPSA301.94 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds11
Heavy Atoms300
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004632.85
LogP ≤ 583.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The IUPAC name of 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine (CID 158578710) is 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine.
What is the SMILES notation for 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The canonical SMILES for 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is COc1ccc2cc(C)ccc2c1.COc1ccc2cc(C)cnc2c1.COc1ccc2cc(C)sc2c1.COc1ccc2cc(C)sc2n1.COc1ccc2ccc(C)cc2c1.COc1ccc2nc(C)sc2c1.COc1ccc2sc(C)cc2c1.COc1ccc2sc(C)cc2n1.COc1ccc2sc(C)nc2c1.COc1cnc2cc(C)sc2c1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2o1.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1cc2ncc(Cl)cc2s1.Cc1ccc(-c2ccc(Cl)s2)s1.Cc1ccc(Cl)s1.Cc1ccc2cc(Br)ccc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2oc(C)cc2c1.Cc1cnc2cc(Cl)ccc2c1.Cc1nc2cc(Cl)ccc2s1.Cc1nc2ccc(Cl)cc2[nH]1.Cc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
The InChIKey is HSZBMRJMHYDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12O.C11H9Br.2C11H9Cl.C11H11NO.C10H8ClN.2C10H10OS.C10H10O.C9H7ClO.C9H7ClS2.2C9H7ClS.5C9H9NOS.C8H7ClN2.5C8H6ClNS.C5H5ClS/c1-9-3-4-11-8-12(13-2)6-5-10(11)7-9;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-5-9-3-4-10(13-2)6-11(9)12-7-8;1-7-4-8-2-3-9(11)5-10(8)12-6-7;1-7-5-8-6-9(11-2)3-4-10(8)12-7;1-7-5-8-3-4-9(11-2)6-10(8)12-7;1-7-3-4-10-9(5-7)6-8(2)11-10;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-2-3-7(11-6)8-4-5-9(10)12-8;1-6-4-7-5-8(10)2-3-9(7)11-6;1-6-4-7-2-3-8(10)5-9(7)11-6;1-6-3-8-9(12-6)4-7(11-2)5-10-8;1-6-10-8-5-7(11-2)3-4-9(8)12-6;1-6-10-8-4-3-7(11-2)5-9(8)12-6;1-6-5-7-8(12-6)3-4-9(10-7)11-2;1-6-5-7-3-4-8(11-2)10-9(7)12-6;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-7-8(11-5)3-6(9)4-10-7;1-5-10-7-4-6(9)2-3-8(7)11-5;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-4-6-7(11-5)2-3-8(9)10-6;1-5-4-6-2-3-7(9)10-8(6)11-5;1-4-2-3-5(6)7-4/h2*3-8H,1-2H3;3*2-7H,1H3;3-7H,1-2H3;2-6H,1H3;2*3-6H,1-2H3;3-6H,1-2H3;2-5H,1H3;2-5H,1H3;2*2-5H,1H3;5*3-5H,1-2H3;2-4H,1H3,(H,10,11);5*2-4H,1H3;2-3H,1H3.
What are the key properties of 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine?
2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine has a molecular weight of 4632.85 g/mol, XLogP of 83.21, 11 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylnaphthalene;6-chloro-2-methyl-1H-benzimidazole;6-chloro-2-methyl-1-benzofuran;5-chloro-2-methyl-1,3-benzothiazole;6-chloro-2-methyl-1,3-benzothiazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;7-chloro-3-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;2-chloro-5-methylthiophene;2-chloro-5-(5-methylthiophen-2-yl)thiophene;2,5-dimethyl-1-benzofuran;5-methoxy-2-methyl-1,3-benzothiazole;6-methoxy-2-methyl-1,3-benzothiazole;5-methoxy-2-methyl-1-benzothiophene;6-methoxy-2-methyl-1-benzothiophene;2-methoxy-6-methylnaphthalene;2-methoxy-7-methylnaphthalene;7-methoxy-3-methylquinoline;5-methoxy-2-methylthieno[3,2-b]pyridine;6-methoxy-2-methylthieno[2,3-b]pyridine;6-methoxy-2-methylthieno[3,2-b]pyridine is sourced from PubChem (CID 158578710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).