2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline

C181H237N11O11S2 — CID 161030039

About 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline

2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline (PubChem CID 161030039) has the molecular formula C181H237N11O11S2 and a molecular weight of 2807.09 g/mol. Its IUPAC name is 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline.

Molecular Properties

• Compound Name: 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline
• PubChem CID: 161030039
• Molecular Formula: C181H237N11O11S2
• Molecular Weight: 2807.09 g/mol
• Exact Mass: 2804.78
• IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline
• SMILES: C/C(=C\CC(C)C)c1ccc(C(=O)CC(=O)c2c(C)c(C)c(C)c(C)c2C)cc1.CC.CC.CC.CC(C)C(=O)c1ccc(N(C)C)cc1.CC(C)S(=O)(=O)c1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]c2c1.Cc1c(C)c(C)c(-c2nc3ccc(C(C)C)cc3[nH]2)c(C)c1C.Cc1c(C)c(C)c(-c2nc3ccc(S(=O)(=O)C(C)C)cc3[nH]2)c(C)c1C.Cc1c(C)c(C)c(/C=C/C(=O)C(C)C)c(C)c1C.Cc1c(C)c(C)c(C(=O)C(C)C)c(C)c1C.Cc1c(C)c(C)c(C(=O)CC(=O)c2ccc(C(C)C)cc2)c(C)c1C.Cc1c(C)c(C)c2nc(CC(C)C)cnc2c1C
• InChI: InChI=1S/C27H34O2.C23H20N4O2S.C23H28O2.C21H26N2O2S.C21H26N2.C17H24O.C16H22N2.C15H22O.C12H17NO.3C2H6/c1-16(2)9-10-17(3)23-11-13-24(14-12-23)25(28)15-26(29)27-21(7)19(5)18(4)20(6)22(27)8;1-14(2)30(28,29)17-11-12-20-21(13-17)27-23(26-20)16-9-7-15(8-10-16)22-24-18-5-3-4-6-19(18)25-22;1-13(2)19-8-10-20(11-9-19)21(24)12-22(25)23-17(6)15(4)14(3)16(5)18(23)7;1-11(2)26(24,25)17-8-9-18-19(10-17)23-21(22-18)20-15(6)13(4)12(3)14(5)16(20)7;1-11(2)17-8-9-18-19(10-17)23-21(22-18)20-15(6)13(4)12(3)14(5)16(20)7;1-10(2)17(18)9-8-16-14(6)12(4)11(3)13(5)15(16)7;1-9(2)7-14-8-17-15-12(5)10(3)11(4)13(6)16(15)18-14;1-8(2)15(16)14-12(6)10(4)9(3)11(5)13(14)7;1-9(2)12(14)10-5-7-11(8-6-10)13(3)4;3*1-2/h10-14,16H,9,15H2,1-8H3;3-14H,1-2H3,(H,24,25)(H,26,27);8-11,13H,12H2,1-7H3;8-11H,1-7H3,(H,22,23);8-11H,1-7H3,(H,22,23);8-10H,1-7H3;8-9H,7H2,1-6H3;8H,1-7H3;5-9H,1-4H3;3*1-2H3/b17-10+;;;;;9-8+
• InChIKey: TZMILPIUZHVMLV-UUCDCLFLSA-N
• XLogP: 47.01
• TPSA: 331.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2807.09
LogP ≤ 5	47.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline?

The IUPAC name of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline (CID 161030039) is 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline.

What is the SMILES notation for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline?

The canonical SMILES for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline is C/C(=C\CC(C)C)c1ccc(C(=O)CC(=O)c2c(C)c(C)c(C)c(C)c2C)cc1.CC.CC.CC.CC(C)C(=O)c1ccc(N(C)C)cc1.CC(C)S(=O)(=O)c1ccc2nc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)[nH]c2c1.Cc1c(C)c(C)c(-c2nc3ccc(C(C)C)cc3[nH]2)c(C)c1C.Cc1c(C)c(C)c(-c2nc3ccc(S(=O)(=O)C(C)C)cc3[nH]2)c(C)c1C.Cc1c(C)c(C)c(/C=C/C(=O)C(C)C)c(C)c1C.Cc1c(C)c(C)c(C(=O)C(C)C)c(C)c1C.Cc1c(C)c(C)c(C(=O)CC(=O)c2ccc(C(C)C)cc2)c(C)c1C.Cc1c(C)c(C)c2nc(CC(C)C)cnc2c1C.

What is the InChIKey of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline?

The InChIKey is TZMILPIUZHVMLV-UUCDCLFLSA-N. The full InChI is InChI=1S/C27H34O2.C23H20N4O2S.C23H28O2.C21H26N2O2S.C21H26N2.C17H24O.C16H22N2.C15H22O.C12H17NO.3C2H6/c1-16(2)9-10-17(3)23-11-13-24(14-12-23)25(28)15-26(29)27-21(7)19(5)18(4)20(6)22(27)8;1-14(2)30(28,29)17-11-12-20-21(13-17)27-23(26-20)16-9-7-15(8-10-16)22-24-18-5-3-4-6-19(18)25-22;1-13(2)19-8-10-20(11-9-19)21(24)12-22(25)23-17(6)15(4)14(3)16(5)18(23)7;1-11(2)26(24,25)17-8-9-18-19(10-17)23-21(22-18)20-15(6)13(4)12(3)14(5)16(20)7;1-11(2)17-8-9-18-19(10-17)23-21(22-18)20-15(6)13(4)12(3)14(5)16(20)7;1-10(2)17(18)9-8-16-14(6)12(4)11(3)13(5)15(16)7;1-9(2)7-14-8-17-15-12(5)10(3)11(4)13(6)16(15)18-14;1-8(2)15(16)14-12(6)10(4)9(3)11(5)13(14)7;1-9(2)12(14)10-5-7-11(8-6-10)13(3)4;3*1-2/h10-14,16H,9,15H2,1-8H3;3-14H,1-2H3,(H,24,25)(H,26,27);8-11,13H,12H2,1-7H3;8-11H,1-7H3,(H,22,23);8-11H,1-7H3,(H,22,23);8-10H,1-7H3;8-9H,7H2,1-6H3;8H,1-7H3;5-9H,1-4H3;3*1-2H3/b17-10+;;;;;9-8+;;;;;;.

What are the key properties of 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline?

2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline has a molecular weight of 2807.09 g/mol, XLogP of 47.01, 31 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1H-benzimidazol-2-yl)phenyl]-6-propan-2-ylsulfonyl-1H-benzimidazole;1-[4-(dimethylamino)phenyl]-2-methylpropan-1-one;ethane;1-[4-[(E)-5-methylhex-2-en-2-yl]phenyl]-3-(2,3,4,5,6-pentamethylphenyl)propane-1,3-dione;(E)-4-methyl-1-(2,3,4,5,6-pentamethylphenyl)pent-1-en-3-one;2-methyl-1-(2,3,4,5,6-pentamethylphenyl)propan-1-one;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-yl-1H-benzimidazole;1-(2,3,4,5,6-pentamethylphenyl)-3-(4-propan-2-ylphenyl)propane-1,3-dione;2-(2,3,4,5,6-pentamethylphenyl)-6-propan-2-ylsulfonyl-1H-benzimidazole;5,6,7,8-tetramethyl-2-(2-methylpropyl)quinoxaline is sourced from PubChem (CID 161030039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).