1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C143H136N9O13P — CID 157085449

About 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 157085449) has the molecular formula C143H136N9O13P and a molecular weight of 2219.68 g/mol. Its IUPAC name is 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

• Compound Name: 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
• PubChem CID: 157085449
• Molecular Formula: C143H136N9O13P
• Molecular Weight: 2219.68 g/mol
• Exact Mass: 2218.00
• IUPAC Name: 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
• SMILES: CCC(C)c1ccccc1.CN=P(C)(Oc1cccc(C)c1)Oc1ccccc1C.COc1ccc(C(C)=O)cc1.COc1ccc(Oc2ccc(C(C)=O)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1.Cc1ccc(C)c(C(=O)c2ccc(Oc3ccccc3)cc2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5c(c4)nc(C)n5Cc4ccccc4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1
• InChI: InChI=1S/C29H24N4.C22H18N4.C21H18O4.C21H18O2.C16H20NO2P.C15H14O3.C10H14.C9H10O2/c1-19-7-6-10-24(15-19)29-31-25-13-11-22(16-26(25)32-29)23-12-14-28-27(17-23)30-20(2)33(28)18-21-8-4-3-5-9-21;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-15(22)16-3-5-18(6-4-16)24-20-11-13-21(14-12-20)25-19-9-7-17(23-2)8-10-19;1-15-8-9-16(2)20(14-15)21(22)17-10-12-19(13-11-17)23-18-6-4-3-5-7-18;1-13-8-7-10-15(12-13)18-20(4,17-3)19-16-11-6-5-9-14(16)2;1-11(16)12-3-5-14(6-4-12)18-15-9-7-13(17-2)8-10-15;1-3-9(2)10-7-5-4-6-8-10;1-7(10)8-3-5-9(11-2)6-4-8/h3-17H,18H2,1-2H3,(H,31,32);3-12H,1-2H3,(H,23,24)(H,25,26);3-14H,1-2H3;3-14H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;4-9H,3H2,1-2H3;3-6H,1-2H3
• InChIKey: AEAMQPSUQFEREQ-UHFFFAOYSA-N
• XLogP: 36.95
• TPSA: 267.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.68
LogP ≤ 5	36.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?

The IUPAC name of 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 157085449) is 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

What is the SMILES notation for 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?

The canonical SMILES for 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is CCC(C)c1ccccc1.CN=P(C)(Oc1cccc(C)c1)Oc1ccccc1C.COc1ccc(C(C)=O)cc1.COc1ccc(Oc2ccc(C(C)=O)cc2)cc1.COc1ccc(Oc2ccc(Oc3ccc(C(C)=O)cc3)cc2)cc1.Cc1ccc(C)c(C(=O)c2ccc(Oc3ccccc3)cc2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5c(c4)nc(C)n5Cc4ccccc4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.

What is the InChIKey of 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?

The InChIKey is AEAMQPSUQFEREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4.C22H18N4.C21H18O4.C21H18O2.C16H20NO2P.C15H14O3.C10H14.C9H10O2/c1-19-7-6-10-24(15-19)29-31-25-13-11-22(16-26(25)32-29)23-12-14-28-27(17-23)30-20(2)33(28)18-21-8-4-3-5-9-21;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-15(22)16-3-5-18(6-4-16)24-20-11-13-21(14-12-20)25-19-9-7-17(23-2)8-10-19;1-15-8-9-16(2)20(14-15)21(22)17-10-12-19(13-11-17)23-18-6-4-3-5-7-18;1-13-8-7-10-15(12-13)18-20(4,17-3)19-16-11-6-5-9-14(16)2;1-11(16)12-3-5-14(6-4-12)18-15-9-7-13(17-2)8-10-15;1-3-9(2)10-7-5-4-6-8-10;1-7(10)8-3-5-9(11-2)6-4-8/h3-17H,18H2,1-2H3,(H,31,32);3-12H,1-2H3,(H,23,24)(H,25,26);3-14H,1-2H3;3-14H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;4-9H,3H2,1-2H3;3-6H,1-2H3.

What are the key properties of 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?

1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 2219.68 g/mol, XLogP of 36.95, 28 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-2-methyl-5-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]benzimidazole;butan-2-ylbenzene;(2,5-dimethylphenyl)-(4-phenoxyphenyl)methanone;1-[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]ethanone;1-[4-(4-methoxyphenoxy)phenyl]ethanone;1-(4-methoxyphenyl)ethanone;methyl-methylimino-(2-methylphenoxy)-(3-methylphenoxy)-λ5-phosphane;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 157085449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).