3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline

C15H10N4S — CID 70165518

IUPAC3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline
SMILESc1ccc2cc3nc(Sc4ncc[nH]4)cnc3cc2c1
InChIInChI=1S/C15H10N4S/c1-2-4-11-8-13-12(7-10(11)3-1)18-9-14(19-13)20-15-16-5-6-17-15/h1-9H,(H,16,17)
InChIKeyWWTMNLPRPMXSEG-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.66
Rot. Bonds2

About 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline

3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline (PubChem CID 70165518) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline
PubChem CID70165518
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline
SMILESc1ccc2cc3nc(Sc4ncc[nH]4)cnc3cc2c1
InChIInChI=1S/C15H10N4S/c1-2-4-11-8-13-12(7-10(11)3-1)18-9-14(19-13)20-15-16-5-6-17-15/h1-9H,(H,16,17)
InChIKeyWWTMNLPRPMXSEG-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-(pyridin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 3012527
2-[2-(4-Phenyl-1h-Imidazol-2-Yl)ethyl]quinoxaline
CID 54755130
2-isoquinolin-1-yl-1H-benzimidazole-6-carboximidamide
CID 22628842
2-pyridin-2-yl-1H-benzo[f]benzimidazole
CID 1084688
2-isoquinolin-3-yl-1H-benzimidazole-6-carboximidamide
CID 22628843
2-pyridin-2-yl-3H-benzo[e]benzimidazole
CID 345777
4-[5-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-pyridin-2-ylsulfanylmethyl]-benzonitrile
CID 1432646
5,6-dimethyl-2-[6-(pyridin-2-ylmethylsulfanyl)pyridin-3-yl]-1H-benzimidazole
CID 1432656
2-[[[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]methyl]benzonitrile
CID 1432817
2-Pyridin-3-yl-1H-naphtho[2,3-d]imidazole
CID 3152015
2-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)quinoxaline
CID 11507345
4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)quinoline
CID 44568681

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline?
The IUPAC name of 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline (CID 70165518) is 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline.
What is the SMILES notation for 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline?
The canonical SMILES for 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline is c1ccc2cc3nc(Sc4ncc[nH]4)cnc3cc2c1.
What is the InChIKey of 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline?
The InChIKey is WWTMNLPRPMXSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c1-2-4-11-8-13-12(7-10(11)3-1)18-9-14(19-13)20-15-16-5-6-17-15/h1-9H,(H,16,17).
What are the key properties of 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline?
3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline has a molecular weight of 278.34 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylsulfanyl)benzo[g]quinoxaline is sourced from PubChem (CID 70165518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).