2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C21H26ClN5O3S — CID 33325390

IUPAC2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc2cc(Cl)ccc21
InChIInChI=1S/C21H26ClN5O3S/c1-3-10-26-16-5-4-14(22)11-15(16)23-20(26)31-12-17(28)25-27-18(29)21(24-19(27)30)8-6-13(2)7-9-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyYEIKWWSLMILHHR-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.72
Rot. Bonds6

About 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 33325390) has the molecular formula C21H26ClN5O3S and a molecular weight of 463.99 g/mol. Its IUPAC name is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID33325390
Molecular FormulaC21H26ClN5O3S
Molecular Weight463.99 g/mol
Exact Mass463.14
IUPAC Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc2cc(Cl)ccc21
InChIInChI=1S/C21H26ClN5O3S/c1-3-10-26-16-5-4-14(22)11-15(16)23-20(26)31-12-17(28)25-27-18(29)21(24-19(27)30)8-6-13(2)7-9-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,24,30)(H,25,28)
InChIKeyYEIKWWSLMILHHR-UHFFFAOYSA-N
XLogP3.72
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

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
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518022
2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7866762
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24545847
1-[2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanylacetyl]piperidine-4-carboxamide
CID 7829588
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34929552
2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2112844
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16542555
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46607337

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 33325390) is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCCn1c(SCC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is YEIKWWSLMILHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O3S/c1-3-10-26-16-5-4-14(22)11-15(16)23-20(26)31-12-17(28)25-27-18(29)21(24-19(27)30)8-6-13(2)7-9-21/h4-5,11,13H,3,6-10,12H2,1-2H3,(H,24,30)(H,25,28).
What are the key properties of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 463.99 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 33325390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).