6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

C200H185Cl14N25O7S6 — CID 159461982

IUPAC6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2nc(Cl)ccc2c1.Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C11H9Cl.2C10H8ClN.C10H9N.2C9H7ClS.2C9H10N2O.C9H12N2.C9H8N2.C9H9N.3C8H7ClN2.2C8H6ClNS.C8H8N2.CH4/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6-7(9)4-10-8(6)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;1-6-2-3-8-7(4-6)5-9-10-8;/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-6,10H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-5H,1H3,(H,9,10);1H4
InChIKeyLURXCIHSEHGPIP-UHFFFAOYSA-N
MW3739.59 g/mol
LogP57.33
Rot. Bonds4

About 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 159461982) has the molecular formula C200H185Cl14N25O7S6 and a molecular weight of 3739.59 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID159461982
Molecular FormulaC200H185Cl14N25O7S6
Molecular Weight3739.59 g/mol
Exact Mass3729.89
IUPAC Name6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESC.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2nc(Cl)ccc2c1.Cc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C11H9Cl.2C10H8ClN.C10H9N.2C9H7ClS.2C9H10N2O.C9H12N2.C9H8N2.C9H9N.3C8H7ClN2.2C8H6ClNS.C8H8N2.CH4/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6-7(9)4-10-8(6)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;1-6-2-3-8-7(4-6)5-9-10-8;/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-6,10H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-5H,1H3,(H,9,10);1H4
InChIKeyLURXCIHSEHGPIP-UHFFFAOYSA-N
XLogP57.33
TPSA504.29 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds4
Heavy Atoms252
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003739.59
LogP ≤ 557.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 159461982) is 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is C.Cc1cc2[nH]cc(Cl)c2cn1.Cc1cc2cc(Cl)ccc2s1.Cc1cc2ccc(Cl)cc2cc1C(N)=O.Cc1cc2ccc(Cl)cc2cc1CN.Cc1cc2ccc(Cl)cc2cc1S(C)(=O)=O.Cc1cc2ccc(Cl)cc2cc1S(N)(=O)=O.Cc1cc2ccc(Cl)cc2s1.Cc1cc2ccc(Cl)nc2s1.Cc1cc2nc(Cl)ccc2s1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(Cl)c[nH]c2n1.Cc1ccc2c(c1)C(N)=NOC2.Cc1ccc2c(c1)CON=C2N.Cc1ccc2c(n1)NCCC2.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2cc(Cl)ccc2n1.Cc1ccc2cc[nH]c2c1.Cc1ccc2cccnc2c1.Cc1ccc2cccnc2n1.Cc1ccc2nc(Cl)ccc2c1.Cc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is LURXCIHSEHGPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO.C12H12ClN.C12H11ClO2S.C11H10ClNO2S.C11H9Cl.2C10H8ClN.C10H9N.2C9H7ClS.2C9H10N2O.C9H12N2.C9H8N2.C9H9N.3C8H7ClN2.2C8H6ClNS.C8H8N2.CH4/c1-7-4-8-2-3-10(13)5-9(8)6-11(7)12(14)15;1-8-4-9-2-3-12(13)6-10(9)5-11(8)7-14;1-8-5-9-3-4-11(13)6-10(9)7-12(8)16(2,14)15;1-7-4-8-2-3-10(12)5-9(8)6-11(7)16(13,14)15;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-7-2-4-9-8(6-7)3-5-10(11)12-9;1-7-2-3-8-6-9(11)4-5-10(8)12-7;1-8-4-5-9-3-2-6-11-10(9)7-8;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;1-6-2-3-8-7(4-6)5-12-11-9(8)10;1-6-2-3-7-5-12-11-9(10)8(7)4-6;2*1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-2-3-8-4-5-10-9(8)6-7;1-5-2-8-6(3-10-5)7(9)4-11-8;1-5-10-7-3-2-6(9)4-8(7)11-5;1-5-2-3-6-7(9)4-10-8(6)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;1-6-2-3-8-7(4-6)5-9-10-8;/h2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;3-7H,1-2H3;2-6H,1H3,(H2,13,14,15);2-7H,1H3;2*2-6H,1H3;2-7H,1H3;2*2-5H,1H3;2*2-4H,5H2,1H3,(H2,10,11);4-5H,2-3,6H2,1H3,(H,10,11);2-6H,1H3;2-6,10H,1H3;2-4,11H,1H3;2*2-4H,1H3,(H,10,11);2*2-4H,1H3;2-5H,1H3,(H,9,10);1H4.
What are the key properties of 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine?
6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 3739.59 g/mol, XLogP of 57.33, 4 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1H-benzimidazole;5-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-1-benzothiophene;6-chloro-2-methyl-3-methylsulfonylnaphthalene;2-chloro-6-methylnaphthalene;7-chloro-3-methylnaphthalene-2-carboxamide;7-chloro-3-methylnaphthalene-2-sulfonamide;(7-chloro-3-methylnaphthalen-2-yl)methanamine;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;6-chloro-2-methylquinoline;5-chloro-2-methylthieno[3,2-b]pyridine;6-chloro-2-methylthieno[2,3-b]pyridine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1H-indazole;6-methyl-1H-indole;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 159461982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).