N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide

C20H27N5O3S — CID 39968529

IUPACN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3n2CCC(C)C)C1=O
InChIInChI=1S/C20H27N5O3S/c1-5-20(4)17(27)25(18(28)22-20)23-16(26)12-29-19-21-14-8-6-7-9-15(14)24(19)11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,28)(H,23,26)/t20-/m0/s1
InChIKeyQAPNWLMFSIZFKA-FQEVSTJZSA-N
MW417.54 g/mol
LogP2.93
Rot. Bonds8

About N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide

N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide (PubChem CID 39968529) has the molecular formula C20H27N5O3S and a molecular weight of 417.54 g/mol. Its IUPAC name is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
PubChem CID39968529
Molecular FormulaC20H27N5O3S
Molecular Weight417.54 g/mol
Exact Mass417.18
IUPAC NameN-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
SMILESCC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3n2CCC(C)C)C1=O
InChIInChI=1S/C20H27N5O3S/c1-5-20(4)17(27)25(18(28)22-20)23-16(26)12-29-19-21-14-8-6-7-9-15(14)24(19)11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,28)(H,23,26)/t20-/m0/s1
InChIKeyQAPNWLMFSIZFKA-FQEVSTJZSA-N
XLogP2.93
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 52.93
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

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 18276311
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 55400511
N-[1-(furan-2-yl)ethyl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide
CID 42891361
N-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 25351275
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(5-methylhexan-2-yl)acetamide
CID 112789303
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
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-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580273
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 40811560
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46693871
2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanyl-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 33032009

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide (CID 39968529) is N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide is CC[C@]1(C)NC(=O)N(NC(=O)CSc2nc3ccccc3n2CCC(C)C)C1=O.
What is the InChIKey of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
The InChIKey is QAPNWLMFSIZFKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N5O3S/c1-5-20(4)17(27)25(18(28)22-20)23-16(26)12-29-19-21-14-8-6-7-9-15(14)24(19)11-10-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,28)(H,23,26)/t20-/m0/s1.
What are the key properties of N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide?
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide has a molecular weight of 417.54 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 39968529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).