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

C21H19N3O3 — CID 155566390

IUPAC2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1cc(-c2ncccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3/c1-25-17-11-13(12-18(26-2)20(17)27-3)19-14(7-6-10-22-19)21-23-15-8-4-5-9-16(15)24-21/h4-12H,1-3H3,(H,23,24)
InChIKeyXYOVMZCBQGWKBI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.32
Rot. Bonds5

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

2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (PubChem CID 155566390) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
PubChem CID155566390
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole
SMILESCOc1cc(-c2ncccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC
InChIInChI=1S/C21H19N3O3/c1-25-17-11-13(12-18(26-2)20(17)27-3)19-14(7-6-10-22-19)21-23-15-8-4-5-9-16(15)24-21/h4-12H,1-3H3,(H,23,24)
InChIKeyXYOVMZCBQGWKBI-UHFFFAOYSA-N
XLogP4.32
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole (CID 155566390) is 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is COc1cc(-c2ncccc2-c2nc3ccccc3[nH]2)cc(OC)c1OC.
What is the InChIKey of 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
The InChIKey is XYOVMZCBQGWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-17-11-13(12-18(26-2)20(17)27-3)19-14(7-6-10-22-19)21-23-15-8-4-5-9-16(15)24-21/h4-12H,1-3H3,(H,23,24).
What are the key properties of 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole?
2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole has a molecular weight of 361.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 155566390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).