2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C21H20N4O4S — CID 647834

IUPAC2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H20N4O4S/c1-27-16-8-13(9-17(28-2)20(16)29-3)23-19(26)11-25-15-7-5-4-6-14(15)24-21(25)18-10-22-12-30-18/h4-10,12H,11H2,1-3H3,(H,23,26)
InChIKeyTULGDJWIDAUQEE-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 647834) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID647834
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC Name2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC
InChIInChI=1S/C21H20N4O4S/c1-27-16-8-13(9-17(28-2)20(16)29-3)23-19(26)11-25-15-7-5-4-6-14(15)24-21(25)18-10-22-12-30-18/h4-10,12H,11H2,1-3H3,(H,23,26)
InChIKeyTULGDJWIDAUQEE-UHFFFAOYSA-N
XLogP3.82
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide 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 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 647834) is 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC.
What is the InChIKey of 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is TULGDJWIDAUQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-27-16-8-13(9-17(28-2)20(16)29-3)23-19(26)11-25-15-7-5-4-6-14(15)24-21(25)18-10-22-12-30-18/h4-10,12H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 647834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).