dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C33H33N3O6 — CID 14566758

About dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 14566758) has the molecular formula C33H33N3O6 and a molecular weight of 567.64 g/mol. Its IUPAC name is dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

• Compound Name: dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• PubChem CID: 14566758
• Molecular Formula: C33H33N3O6
• Molecular Weight: 567.64 g/mol
• Exact Mass: 567.24
• IUPAC Name: dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2nc(-c3ccc(OC)cc3)n(Cc3ccc(OC)cc3)c2c1
• InChI: InChI=1S/C33H33N3O6/c1-19-28(32(37)41-5)30(29(20(2)34-19)33(38)42-6)23-11-16-26-27(17-23)36(18-21-7-12-24(39-3)13-8-21)31(35-26)22-9-14-25(40-4)15-10-22/h7-17,30,34H,18H2,1-6H3
• InChIKey: VZVFEGRWMROCSW-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 100.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.64
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The IUPAC name of dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 14566758) is dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

What is the SMILES notation for dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The canonical SMILES for dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc2nc(-c3ccc(OC)cc3)n(Cc3ccc(OC)cc3)c2c1.

What is the InChIKey of dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

The InChIKey is VZVFEGRWMROCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O6/c1-19-28(32(37)41-5)30(29(20(2)34-19)33(38)42-6)23-11-16-26-27(17-23)36(18-21-7-12-24(39-3)13-8-21)31(35-26)22-9-14-25(40-4)15-10-22/h7-17,30,34H,18H2,1-6H3.

What are the key properties of dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?

dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 567.64 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 4-[2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 14566758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).