2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide

C11H15N5O3S — CID 77090031

IUPAC2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
SMILESCn1ccnc1SCCNC(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C11H15N5O3S/c1-16-4-2-13-11(16)20-5-3-12-8(17)6-7-9(18)15-10(19)14-7/h2,4,7H,3,5-6H2,1H3,(H,12,17)(H2,14,15,18,19)
InChIKeyIESHMLHVEHKNJN-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.77
Rot. Bonds6

About 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide

2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide (PubChem CID 77090031) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
PubChem CID77090031
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide
SMILESCn1ccnc1SCCNC(=O)CC1NC(=O)NC1=O
InChIInChI=1S/C11H15N5O3S/c1-16-4-2-13-11(16)20-5-3-12-8(17)6-7-9(18)15-10(19)14-7/h2,4,7H,3,5-6H2,1H3,(H,12,17)(H2,14,15,18,19)
InChIKeyIESHMLHVEHKNJN-UHFFFAOYSA-N
XLogP-0.77
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide (CID 77090031) is 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide is Cn1ccnc1SCCNC(=O)CC1NC(=O)NC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide?
The InChIKey is IESHMLHVEHKNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-16-4-2-13-11(16)20-5-3-12-8(17)6-7-9(18)15-10(19)14-7/h2,4,7H,3,5-6H2,1H3,(H,12,17)(H2,14,15,18,19).
What are the key properties of 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide?
2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide has a molecular weight of 297.34 g/mol, XLogP of -0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]acetamide is sourced from PubChem (CID 77090031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).