4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

C20H20N4O2S — CID 3331758

IUPAC4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-2-11-23-16-9-5-4-8-15(16)22-20(23)27-13-19(26)24-12-18(25)21-14-7-3-6-10-17(14)24/h3-10H,2,11-13H2,1H3,(H,21,25)
InChIKeyMTKOUXOWVFPMML-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.52
Rot. Bonds5

About 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 3331758) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID3331758
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one
SMILESCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-2-11-23-16-9-5-4-8-15(16)22-20(23)27-13-19(26)24-12-18(25)21-14-7-3-6-10-17(14)24/h3-10H,2,11-13H2,1H3,(H,21,25)
InChIKeyMTKOUXOWVFPMML-UHFFFAOYSA-N
XLogP3.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one (CID 3331758) is 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc21.
What is the InChIKey of 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is MTKOUXOWVFPMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-11-23-16-9-5-4-8-15(16)22-20(23)27-13-19(26)24-12-18(25)21-14-7-3-6-10-17(14)24/h3-10H,2,11-13H2,1H3,(H,21,25).
What are the key properties of 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 380.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-propylbenzimidazol-2-yl)sulfanylacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3331758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).