1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one

C14H14N6O2S — CID 17399038

IUPAC1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
SMILESCC(Sc1n[nH]c2nc3ccccc3n12)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14N6O2S/c1-8(11(21)19-7-6-15-13(19)22)23-14-18-17-12-16-9-4-2-3-5-10(9)20(12)14/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,17)
InChIKeyRRFWZCAPODDSBF-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.24
Rot. Bonds3

About 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one

1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one (PubChem CID 17399038) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
PubChem CID17399038
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
SMILESCC(Sc1n[nH]c2nc3ccccc3n12)C(=O)N1CCNC1=O
InChIInChI=1S/C14H14N6O2S/c1-8(11(21)19-7-6-15-13(19)22)23-14-18-17-12-16-9-4-2-3-5-10(9)20(12)14/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,17)
InChIKeyRRFWZCAPODDSBF-UHFFFAOYSA-N
XLogP1.24
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one (CID 17399038) is 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one is CC(Sc1n[nH]c2nc3ccccc3n12)C(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one?
The InChIKey is RRFWZCAPODDSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c1-8(11(21)19-7-6-15-13(19)22)23-14-18-17-12-16-9-4-2-3-5-10(9)20(12)14/h2-5,8H,6-7H2,1H3,(H,15,22)(H,16,17).
What are the key properties of 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one?
1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one has a molecular weight of 330.37 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one is sourced from PubChem (CID 17399038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).