N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C21H20N4O2S — CID 46968877

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)Nc3ncc(Cc4ccccc4)s3)[nH]c2c1
InChIInChI=1S/C21H20N4O2S/c1-14-7-8-17-18(9-14)24-19(23-17)12-27-13-20(26)25-21-22-11-16(28-21)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyTXYJARGUNGNSCX-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.07
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 46968877) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID46968877
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1ccc2nc(COCC(=O)Nc3ncc(Cc4ccccc4)s3)[nH]c2c1
InChIInChI=1S/C21H20N4O2S/c1-14-7-8-17-18(9-14)24-19(23-17)12-27-13-20(26)25-21-22-11-16(28-21)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyTXYJARGUNGNSCX-UHFFFAOYSA-N
XLogP4.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 46968877) is N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1ccc2nc(COCC(=O)Nc3ncc(Cc4ccccc4)s3)[nH]c2c1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is TXYJARGUNGNSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-7-8-17-18(9-14)24-19(23-17)12-27-13-20(26)25-21-22-11-16(28-21)10-15-5-3-2-4-6-15/h2-9,11H,10,12-13H2,1H3,(H,23,24)(H,22,25,26).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 392.48 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 46968877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).