2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

C22H26ClN3O4S — CID 24573923

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-25(13-15-5-8-19(29-3)20(11-15)30-4)21(27)14-31-22-24-17-12-16(23)6-7-18(17)26(22)9-10-28-2/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyCXDGYCVBLDTSAQ-UHFFFAOYSA-N
MW463.99 g/mol
LogP4.10
Rot. Bonds10

About 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (PubChem CID 24573923) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
PubChem CID24573923
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
SMILESCOCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H26ClN3O4S/c1-25(13-15-5-8-19(29-3)20(11-15)30-4)21(27)14-31-22-24-17-12-16(23)6-7-18(17)26(22)9-10-28-2/h5-8,11-12H,9-10,13-14H2,1-4H3
InChIKeyCXDGYCVBLDTSAQ-UHFFFAOYSA-N
XLogP4.10
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-1-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 51645158
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 36610115
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30398563
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 24573917
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[4-(2-methoxyethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 24580088
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51174297
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 24573901
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 24580225
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 16577422
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46608350
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34929552

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide (CID 24573923) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is COCCn1c(SCC(=O)N(C)Cc2ccc(OC)c(OC)c2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is CXDGYCVBLDTSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-25(13-15-5-8-19(29-3)20(11-15)30-4)21(27)14-31-22-24-17-12-16(23)6-7-18(17)26(22)9-10-28-2/h5-8,11-12H,9-10,13-14H2,1-4H3.
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 463.99 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 24573923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).