5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole

C23H23N3O5 — CID 155561929

IUPAC5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2cc1OC
InChIInChI=1S/C23H23N3O5/c1-27-17-11-15-16(12-18(17)28-2)26-23(25-15)14-7-6-8-24-21(14)13-9-19(29-3)22(31-5)20(10-13)30-4/h6-12H,1-5H3,(H,25,26)
InChIKeyNGZMZPLJZNSIHW-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.33
Rot. Bonds7

About 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole

5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 155561929) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID155561929
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2cc1OC
InChIInChI=1S/C23H23N3O5/c1-27-17-11-15-16(12-18(17)28-2)26-23(25-15)14-7-6-8-24-21(14)13-9-19(29-3)22(31-5)20(10-13)30-4/h6-12H,1-5H3,(H,25,26)
InChIKeyNGZMZPLJZNSIHW-UHFFFAOYSA-N
XLogP4.33
TPSA87.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (CID 155561929) is 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is COc1cc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is NGZMZPLJZNSIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-27-17-11-15-16(12-18(17)28-2)26-23(25-15)14-7-6-8-24-21(14)13-9-19(29-3)22(31-5)20(10-13)30-4/h6-12H,1-5H3,(H,25,26).
What are the key properties of 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 421.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 155561929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).