2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H21ClN4O2S — CID 7246755

IUPAC2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C20H21ClN4O2S/c1-11-6-12(2)19(13(3)7-11)25-17(26)9-22-18(27)10-28-20-23-15-5-4-14(21)8-16(15)24-20/h4-8H,9-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyVLLOWNCUSLXWEQ-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.99
Rot. Bonds6

About 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7246755) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7246755
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1
InChIInChI=1S/C20H21ClN4O2S/c1-11-6-12(2)19(13(3)7-11)25-17(26)9-22-18(27)10-28-20-23-15-5-4-14(21)8-16(15)24-20/h4-8H,9-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26)
InChIKeyVLLOWNCUSLXWEQ-UHFFFAOYSA-N
XLogP3.99
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16504539
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 40555975
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084598
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 5134379
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 7225858
N-(3-acetylphenyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2618184
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 71905305
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6498506

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 7246755) is 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(C)c1.
What is the InChIKey of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VLLOWNCUSLXWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-11-6-12(2)19(13(3)7-11)25-17(26)9-22-18(27)10-28-20-23-15-5-4-14(21)8-16(15)24-20/h4-8H,9-10H2,1-3H3,(H,22,27)(H,23,24)(H,25,26).
What are the key properties of 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7246755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).