5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

C46H50N14O2 — CID 58325578

About 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one

5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 58325578) has the molecular formula C46H50N14O2 and a molecular weight of 831.00 g/mol. Its IUPAC name is 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

• Compound Name: 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
• PubChem CID: 58325578
• Molecular Formula: C46H50N14O2
• Molecular Weight: 831.00 g/mol
• Exact Mass: 830.42
• IUPAC Name: 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one
• SMILES: Cc1ccc(Nc2nc(CC3CC(C)(C)CC(C)(CNc4nc(Nc5ccc(C)cc5)nc(Nc5ccc6c(c5)CC(=O)N6)n4)C3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)n2)cc1
• InChI: InChI=1S/C46H50N14O2/c1-26-6-10-30(11-7-26)48-40-55-37(56-41(59-40)51-33-15-17-35-36(21-33)54-44(62)53-35)18-28-22-45(3,4)24-46(5,23-28)25-47-39-57-42(49-31-12-8-27(2)9-13-31)60-43(58-39)50-32-14-16-34-29(19-32)20-38(61)52-34/h6-17,19,21,28H,18,20,22-25H2,1-5H3,(H,52,61)(H2,53,54,62)(H2,48,51,55,56,59)(H3,47,49,50,57,58,60)
• InChIKey: WYFCBYHGVGSWCL-UHFFFAOYSA-N
• XLogP: 8.80
• TPSA: 215.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	831.00
LogP ≤ 5	8.80
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?

The IUPAC name of 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one (CID 58325578) is 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one.

What is the SMILES notation for 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?

The canonical SMILES for 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(Nc2nc(CC3CC(C)(C)CC(C)(CNc4nc(Nc5ccc(C)cc5)nc(Nc5ccc6c(c5)CC(=O)N6)n4)C3)nc(Nc3ccc4[nH]c(=O)[nH]c4c3)n2)cc1.

What is the InChIKey of 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?

The InChIKey is WYFCBYHGVGSWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H50N14O2/c1-26-6-10-30(11-7-26)48-40-55-37(56-41(59-40)51-33-15-17-35-36(21-33)54-44(62)53-35)18-28-22-45(3,4)24-46(5,23-28)25-47-39-57-42(49-31-12-8-27(2)9-13-31)60-43(58-39)50-32-14-16-34-29(19-32)20-38(61)52-34/h6-17,19,21,28H,18,20,22-25H2,1-5H3,(H,52,61)(H2,53,54,62)(H2,48,51,55,56,59)(H3,47,49,50,57,58,60).

What are the key properties of 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one?

5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 831.00 g/mol, XLogP of 8.80, 13 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(4-methylanilino)-6-[[3,3,5-trimethyl-5-[[[4-(4-methylanilino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-1,3,5-triazin-2-yl]amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 58325578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).