2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline

C17H14N4S — CID 11688103

IUPAC2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCCSc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12
InChIInChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
InChIKeyIHVQPVYBIZVMSJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.29
Rot. Bonds3

About 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline

2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline (PubChem CID 11688103) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline
PubChem CID11688103
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCCSc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12
InChIInChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21)
InChIKeyIHVQPVYBIZVMSJ-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazo[4,5-c]pyridin-2-yl)quinoxaline
CID 11536096
2-(1H-1,3-benzodiazol-2-yl)quinoxaline
CID 11658819
6-ethylsulfonyl-2-(2-phenyl-4-pyridinyl)-1H-benzimidazole
CID 70697155
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)thiophen-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53320547
6-ethylsulfonyl-2-(4-phenyl-2-pyridinyl)-1H-benzimidazole
CID 70684603
2-[(pyridin-2-ylsulfanyl)methyl]-1H-benzimidazole
CID 660778
2-((pyridin-2-ylmethyl)thio)-1H-benzo[d]imidazole
CID 683949
2-(2-methylsulfanylpyridin-3-yl)-1H-benzimidazole
CID 1432221
2-[4-(2-Methylsulfanyl-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 9881000
4-(1H-imidazol-2-yl)-N,N-dimethylthieno[3,2-d]pyrimidin-2-amine
CID 44449598
2-ethyl-4-(1H-imidazol-2-yl)thieno[3,2-d]pyrimidine
CID 44449706
6-(methylsulfonyl)-2-(2-phenylpyrimidin-5-yl)-1H-benzo[d]imidazole
CID 52945299

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline?
The IUPAC name of 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline (CID 11688103) is 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline?
The canonical SMILES for 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline is CCSc1cccc2[nH]c(-c3cnc4ccccc4n3)nc12.
What is the InChIKey of 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline?
The InChIKey is IHVQPVYBIZVMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-2-22-15-9-5-8-13-16(15)21-17(20-13)14-10-18-11-6-3-4-7-12(11)19-14/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline?
2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline has a molecular weight of 306.39 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanyl-1H-benzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 11688103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).