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

C20H24ClN5O4S — CID 46806460

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN5O4S/c1-30-10-9-25-15-6-5-13(21)11-14(15)22-19(25)31-12-16(27)24-26-17(28)20(23-18(26)29)7-3-2-4-8-20/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,29)(H,24,27)
InChIKeyJLKVWBYSSNPTDZ-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.71
Rot. Bonds7

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

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46806460) has the molecular formula C20H24ClN5O4S and a molecular weight of 465.96 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID46806460
Molecular FormulaC20H24ClN5O4S
Molecular Weight465.96 g/mol
Exact Mass465.12
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2cc(Cl)ccc21
InChIInChI=1S/C20H24ClN5O4S/c1-30-10-9-25-15-6-5-13(21)11-14(15)22-19(25)31-12-16(27)24-26-17(28)20(23-18(26)29)7-3-2-4-8-20/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,29)(H,24,27)
InChIKeyJLKVWBYSSNPTDZ-UHFFFAOYSA-N
XLogP2.71
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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-prop-2-enylacetamide
CID 51174297
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
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-1-(2-methylmorpholin-4-yl)ethanone
CID 51293358
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-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 36610115
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-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 16504959

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 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) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COCCn1c(SCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is JLKVWBYSSNPTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O4S/c1-30-10-9-25-15-6-5-13(21)11-14(15)22-19(25)31-12-16(27)24-26-17(28)20(23-18(26)29)7-3-2-4-8-20/h5-6,11H,2-4,7-10,12H2,1H3,(H,23,29)(H,24,27).
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 465.96 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 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-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46806460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).