2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C22H26ClN3O4S — CID 34929552

IUPAC2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCCn1c(SCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-5-8-26-17-7-6-15(23)11-16(17)25-22(26)31-13-20(27)24-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,24,27)
InChIKeyLENUWOPORJMCGN-UHFFFAOYSA-N
MW463.99 g/mol
LogP4.53
Rot. Bonds10

About 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 34929552) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID34929552
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCCCn1c(SCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-5-8-26-17-7-6-15(23)11-16(17)25-22(26)31-13-20(27)24-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,24,27)
InChIKeyLENUWOPORJMCGN-UHFFFAOYSA-N
XLogP4.53
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16542555
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30398563
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 3415698
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34436819
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51174297
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 33248390
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 27944082

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 34929552) is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is CCCn1c(SCC(=O)NCc2cc(OC)c(OC)c(OC)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is LENUWOPORJMCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-5-8-26-17-7-6-15(23)11-16(17)25-22(26)31-13-20(27)24-12-14-9-18(28-2)21(30-4)19(10-14)29-3/h6-7,9-11H,5,8,12-13H2,1-4H3,(H,24,27).
What are the key properties of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 463.99 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 34929552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).