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

C22H22N4O2S — CID 3286574

IUPACN-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCCCCOc1ccccc1NC(=O)Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C22H22N4O2S/c1-2-3-12-28-19-11-7-5-9-17(19)24-21(27)14-26-18-10-6-4-8-16(18)25-22(26)20-13-23-15-29-20/h4-11,13,15H,2-3,12,14H2,1H3,(H,24,27)
InChIKeyXJVNVIWGMQJSBK-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.98
Rot. Bonds8

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

N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (PubChem CID 3286574) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
PubChem CID3286574
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC NameN-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide
SMILESCCCCOc1ccccc1NC(=O)Cn1c(-c2cncs2)nc2ccccc21
InChIInChI=1S/C22H22N4O2S/c1-2-3-12-28-19-11-7-5-9-17(19)24-21(27)14-26-18-10-6-4-8-16(18)25-22(26)20-13-23-15-29-20/h4-11,13,15H,2-3,12,14H2,1H3,(H,24,27)
InChIKeyXJVNVIWGMQJSBK-UHFFFAOYSA-N
XLogP4.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]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 N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide (CID 3286574) is N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is CCCCOc1ccccc1NC(=O)Cn1c(-c2cncs2)nc2ccccc21.
What is the InChIKey of N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
The InChIKey is XJVNVIWGMQJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-2-3-12-28-19-11-7-5-9-17(19)24-21(27)14-26-18-10-6-4-8-16(18)25-22(26)20-13-23-15-29-20/h4-11,13,15H,2-3,12,14H2,1H3,(H,24,27).
What are the key properties of N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide?
N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide has a molecular weight of 406.51 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyphenyl)-2-[2-(1,3-thiazol-5-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 3286574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).