N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C21H20N4OS — CID 4084632

IUPACN-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C21H20N4OS/c1-14(2)15-7-9-16(10-8-15)23-20(26)11-25-19-6-4-3-5-17(19)24-21(25)18-12-27-13-22-18/h3-10,12-14H,11H2,1-2H3,(H,23,26)
InChIKeyQMPNUWQGLUWYTP-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.92
Rot. Bonds5

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

N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 4084632) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID4084632
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1
InChIInChI=1S/C21H20N4OS/c1-14(2)15-7-9-16(10-8-15)23-20(26)11-25-19-6-4-3-5-17(19)24-21(25)18-12-27-13-22-18/h3-10,12-14H,11H2,1-2H3,(H,23,26)
InChIKeyQMPNUWQGLUWYTP-UHFFFAOYSA-N
XLogP4.92
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 4084632) is N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is CC(C)c1ccc(NC(=O)Cn2c(-c3cscn3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is QMPNUWQGLUWYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14(2)15-7-9-16(10-8-15)23-20(26)11-25-19-6-4-3-5-17(19)24-21(25)18-12-27-13-22-18/h3-10,12-14H,11H2,1-2H3,(H,23,26).
What are the key properties of N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 376.49 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4084632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).