bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole

C128H122N16O6S4 — CID 157476423

IUPACbis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole
SMILESCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=CS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)C=C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2sccc2c1
InChIInChI=1S/C10H10.2C9H9N.2C9H8O2S.2C9H8O.2C9H8S.4C8H8N2.2C7H7N3/c1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-12(9,10)11;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-5-2-3-6-7(4-5)9-10-8-6/h2,4-7H,3H2,1H3;2*2-6,10H,1H3;2*2-6H,1H3;4*2-6H,1H3;4*2-5H,1H3,(H,9,10);2*2-4H,1H3,(H,8,9,10)
InChIKeyBVQJBAHCIJRGGF-UHFFFAOYSA-N
MW2108.76 g/mol
LogP32.94
Rot. Bonds

About bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole

bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole (PubChem CID 157476423) has the molecular formula C128H122N16O6S4 and a molecular weight of 2108.76 g/mol. Its IUPAC name is bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole.

Molecular Properties

Compound Namebis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole
PubChem CID157476423
Molecular FormulaC128H122N16O6S4
Molecular Weight2108.76 g/mol
Exact Mass2106.86
IUPAC Namebis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole
SMILESCc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=CS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)C=C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2sccc2c1
InChIInChI=1S/C10H10.2C9H9N.2C9H8O2S.2C9H8O.2C9H8S.4C8H8N2.2C7H7N3/c1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-12(9,10)11;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-5-2-3-6-7(4-5)9-10-8-6/h2,4-7H,3H2,1H3;2*2-6,10H,1H3;2*2-6H,1H3;4*2-6H,1H3;4*2-5H,1H3,(H,9,10);2*2-4H,1H3,(H,8,9,10)
InChIKeyBVQJBAHCIJRGGF-UHFFFAOYSA-N
XLogP32.94
TPSA324.00 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms154
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002108.76
LogP ≤ 532.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole 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

Frequently Asked Questions

What is the IUPAC name of bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole?
The IUPAC name of bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole (CID 157476423) is bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole.
What is the SMILES notation for bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole?
The canonical SMILES for bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole is Cc1ccc2[nH]ccc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)C=CS2(=O)=O.Cc1ccc2c(c1)S(=O)(=O)C=C2.Cc1ccc2cc[nH]c2c1.Cc1ccc2ccoc2c1.Cc1ccc2ccsc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2n[nH]nc2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2occc2c1.Cc1ccc2sccc2c1.
What is the InChIKey of bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole?
The InChIKey is BVQJBAHCIJRGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.2C9H9N.2C9H8O2S.2C9H8O.2C9H8S.4C8H8N2.2C7H7N3/c1-8-5-6-9-3-2-4-10(9)7-8;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-12(9,10)11;1-7-2-3-8-4-5-12(10,11)9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;2*1-5-2-3-6-7(4-5)9-10-8-6/h2,4-7H,3H2,1H3;2*2-6,10H,1H3;2*2-6H,1H3;4*2-6H,1H3;4*2-5H,1H3,(H,9,10);2*2-4H,1H3,(H,8,9,10).
What are the key properties of bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole?
bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole has a molecular weight of 2108.76 g/mol, XLogP of 32.94, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-methyl-1H-benzimidazole);5-methyl-1-benzofuran;6-methyl-1-benzofuran;5-methyl-1-benzothiophene;6-methyl-1-benzothiophene;5-methyl-1-benzothiophene 1,1-dioxide;6-methyl-1-benzothiophene 1,1-dioxide;bis(5-methyl-2H-benzotriazole);5-methyl-1H-indazole;6-methyl-1H-indazole;5-methyl-1H-indene;5-methyl-1H-indole;6-methyl-1H-indole is sourced from PubChem (CID 157476423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).