2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

C20H19ClN6OS — CID 33440574

IUPAC2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CSc1nncn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN6OS/c1-14-24-17-7-2-3-8-18(17)26(14)10-9-22-19(28)12-29-20-25-23-13-27(20)16-6-4-5-15(21)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,28)
InChIKeyQTTTXRQFWYIKJW-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.49
Rot. Bonds7

About 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide

2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 33440574) has the molecular formula C20H19ClN6OS and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID33440574
Molecular FormulaC20H19ClN6OS
Molecular Weight426.93 g/mol
Exact Mass426.10
IUPAC Name2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)CSc1nncn1-c1cccc(Cl)c1
InChIInChI=1S/C20H19ClN6OS/c1-14-24-17-7-2-3-8-18(17)26(14)10-9-22-19(28)12-29-20-25-23-13-27(20)16-6-4-5-15(21)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,28)
InChIKeyQTTTXRQFWYIKJW-UHFFFAOYSA-N
XLogP3.49
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide with MolForge

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Related Compounds

2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,3-dimethylbutyl)acetamide
CID 34712063
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 40568479
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2-diphenylpropyl)acetamide
CID 24667704
N-(2-chloro-4-methylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568602
2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl]acetamide
CID 16529726
3-(4-chlorophenyl)sulfanyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 40716505
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 40568627
N-(2-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568574
N-(3-acetylphenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568552
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 17441415
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 55597473
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340390

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 33440574) is 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2ccccc2n1CCNC(=O)CSc1nncn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is QTTTXRQFWYIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6OS/c1-14-24-17-7-2-3-8-18(17)26(14)10-9-22-19(28)12-29-20-25-23-13-27(20)16-6-4-5-15(21)11-16/h2-8,11,13H,9-10,12H2,1H3,(H,22,28).
What are the key properties of 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 426.93 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 33440574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).