2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

C23H24N4OS2 — CID 55438949

IUPAC2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C23H24N4OS2/c1-16-25-20(14-30-16)18-9-7-17(8-10-18)11-12-24-23(28)13-27-21-6-4-3-5-19(21)26-22(27)15-29-2/h3-10,14H,11-13,15H2,1-2H3,(H,24,28)
InChIKeyJJJMGMVMLLINHK-UHFFFAOYSA-N
MW436.61 g/mol
LogP4.69
Rot. Bonds8

About 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (PubChem CID 55438949) has the molecular formula C23H24N4OS2 and a molecular weight of 436.61 g/mol. Its IUPAC name is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
PubChem CID55438949
Molecular FormulaC23H24N4OS2
Molecular Weight436.61 g/mol
Exact Mass436.14
IUPAC Name2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C23H24N4OS2/c1-16-25-20(14-30-16)18-9-7-17(8-10-18)11-12-24-23(28)13-27-21-6-4-3-5-19(21)26-22(27)15-29-2/h3-10,14H,11-13,15H2,1-2H3,(H,24,28)
InChIKeyJJJMGMVMLLINHK-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.61
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide with MolForge

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Related Compounds

2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 47121427
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 24514134
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
3-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 119308376
N-[2-(4-methoxy-3-sulfamoylphenyl)ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 75397783
6-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]hexanoic acid
CID 119219760
3-methyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide
CID 51248570
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
2-methylsulfanyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 25401259
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
CID 52984164

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide (CID 55438949) is 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is CSCc1nc2ccccc2n1CC(=O)NCCc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
The InChIKey is JJJMGMVMLLINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS2/c1-16-25-20(14-30-16)18-9-7-17(8-10-18)11-12-24-23(28)13-27-21-6-4-3-5-19(21)26-22(27)15-29-2/h3-10,14H,11-13,15H2,1-2H3,(H,24,28).
What are the key properties of 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide?
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide has a molecular weight of 436.61 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 55438949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).