N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C16H20N4O2S — CID 39693495

IUPACN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)CN3CSCC3=O)cc2[nH]1
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)15-18-11-5-4-10(6-12(11)19-15)17-13(21)7-20-9-23-8-14(20)22/h4-6H,7-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyALDHDRXZKWDZHY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.33
Rot. Bonds3

About N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 39693495) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID39693495
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC(C)(C)c1nc2ccc(NC(=O)CN3CSCC3=O)cc2[nH]1
InChIInChI=1S/C16H20N4O2S/c1-16(2,3)15-18-11-5-4-10(6-12(11)19-15)17-13(21)7-20-9-23-8-14(20)22/h4-6H,7-9H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyALDHDRXZKWDZHY-UHFFFAOYSA-N
XLogP2.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 39693495) is N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC(C)(C)c1nc2ccc(NC(=O)CN3CSCC3=O)cc2[nH]1.
What is the InChIKey of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ALDHDRXZKWDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-16(2,3)15-18-11-5-4-10(6-12(11)19-15)17-13(21)7-20-9-23-8-14(20)22/h4-6H,7-9H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 39693495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).