2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

C17H22ClN3O3S — CID 51293358

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOCCn1c(SCC(=O)N2CCOC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O3S/c1-12-10-20(5-8-24-12)16(22)11-25-17-19-14-9-13(18)3-4-15(14)21(17)6-7-23-2/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyWCUCFYVBHIYNJC-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.68
Rot. Bonds6

About 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 51293358) has the molecular formula C17H22ClN3O3S and a molecular weight of 383.90 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID51293358
Molecular FormulaC17H22ClN3O3S
Molecular Weight383.90 g/mol
Exact Mass383.11
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOCCn1c(SCC(=O)N2CCOC(C)C2)nc2cc(Cl)ccc21
InChIInChI=1S/C17H22ClN3O3S/c1-12-10-20(5-8-24-12)16(22)11-25-17-19-14-9-13(18)3-4-15(14)21(17)6-7-23-2/h3-4,9,12H,5-8,10-11H2,1-2H3
InChIKeyWCUCFYVBHIYNJC-UHFFFAOYSA-N
XLogP2.68
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 46806440
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
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-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 35103129
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46608350
1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 7829588
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-methoxyethyl)acetamide
CID 7829532
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46806460
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
CID 24573917
2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 24576414

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone (CID 51293358) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is COCCn1c(SCC(=O)N2CCOC(C)C2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is WCUCFYVBHIYNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3S/c1-12-10-20(5-8-24-12)16(22)11-25-17-19-14-9-13(18)3-4-15(14)21(17)6-7-23-2/h3-4,9,12H,5-8,10-11H2,1-2H3.
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 383.90 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 51293358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).