2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

C20H17ClN4OS — CID 71795618

IUPAC2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C20H17ClN4OS/c1-13-18(27-20(24-13)14-6-2-3-7-15(14)21)10-22-19(26)11-25-12-23-16-8-4-5-9-17(16)25/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyZLPQQEDEIPSUPT-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.44
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide

2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (PubChem CID 71795618) has the molecular formula C20H17ClN4OS and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
PubChem CID71795618
Molecular FormulaC20H17ClN4OS
Molecular Weight396.90 g/mol
Exact Mass396.08
IUPAC Name2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnc2ccccc21
InChIInChI=1S/C20H17ClN4OS/c1-13-18(27-20(24-13)14-6-2-3-7-15(14)21)10-22-19(26)11-25-12-23-16-8-4-5-9-17(16)25/h2-9,12H,10-11H2,1H3,(H,22,26)
InChIKeyZLPQQEDEIPSUPT-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide (CID 71795618) is 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
The InChIKey is ZLPQQEDEIPSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4OS/c1-13-18(27-20(24-13)14-6-2-3-7-15(14)21)10-22-19(26)11-25-12-23-16-8-4-5-9-17(16)25/h2-9,12H,10-11H2,1H3,(H,22,26).
What are the key properties of 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide?
2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide has a molecular weight of 396.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 71795618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).