N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide

C26H27N5O4S — CID 44570499

IUPACN-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide
SMILESCN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCSCC4)c4ccccc43)cc1C2
InChIInChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1
InChIKeyWMTYFICXHNNNJD-AREMUKBSSA-N
MW505.60 g/mol
LogP2.53
Rot. Bonds4

About N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide

N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 44570499) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide
PubChem CID44570499
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC NameN-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide
SMILESCN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCSCC4)c4ccccc43)cc1C2
InChIInChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1
InChIKeyWMTYFICXHNNNJD-AREMUKBSSA-N
XLogP2.53
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide (CID 44570499) is N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide is CN1C(=O)NC(=O)[C@]12Cc1ccc(NC(=O)Cn3c(=O)n(C4CCSCC4)c4ccccc43)cc1C2.
What is the InChIKey of N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is WMTYFICXHNNNJD-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-29-24(34)28-23(33)26(29)13-16-6-7-18(12-17(16)14-26)27-22(32)15-30-20-4-2-3-5-21(20)31(25(30)35)19-8-10-36-11-9-19/h2-7,12,19H,8-11,13-15H2,1H3,(H,27,32)(H,28,33,34)/t26-/m1/s1.
What are the key properties of N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide?
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 505.60 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[2-oxo-3-(thian-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 44570499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).