2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

C22H21N3O2S2 — CID 28574230

IUPAC2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2S2/c1-27-17-10-8-16(9-11-17)25-20-7-3-2-6-19(20)24-22(25)29-15-21(26)23-13-12-18-5-4-14-28-18/h2-11,14H,12-13,15H2,1H3,(H,23,26)
InChIKeyCJWOLCBZJAUPTJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.55
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide

2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 28574230) has the molecular formula C22H21N3O2S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID28574230
Molecular FormulaC22H21N3O2S2
Molecular Weight423.56 g/mol
Exact Mass423.11
IUPAC Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1
InChIInChI=1S/C22H21N3O2S2/c1-27-17-10-8-16(9-11-17)25-20-7-3-2-6-19(20)24-22(25)29-15-21(26)23-13-12-18-5-4-14-28-18/h2-11,14H,12-13,15H2,1H3,(H,23,26)
InChIKeyCJWOLCBZJAUPTJ-UHFFFAOYSA-N
XLogP4.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 41242161
2-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 17431270
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
2-(4-methoxyphenyl)sulfanyl-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27562284
N-[2-(4-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
2-[3-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanyl-N-(3-phenylpropyl)acetamide
CID 20917907
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
2-(1,5-diphenylimidazol-2-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 18208318
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241
2-[4-[(4-methylphenyl)methyl]-3-oxoquinoxalin-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 46325103

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide (CID 28574230) is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is COc1ccc(-n2c(SCC(=O)NCCc3cccs3)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CJWOLCBZJAUPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S2/c1-27-17-10-8-16(9-11-17)25-20-7-3-2-6-19(20)24-22(25)29-15-21(26)23-13-12-18-5-4-14-28-18/h2-11,14H,12-13,15H2,1H3,(H,23,26).
What are the key properties of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide?
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 28574230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).