bis(2-ethyl-1H-benzimidazole);sulfane

C18H22N4S — CID 68768079

IUPACbis(2-ethyl-1H-benzimidazole);sulfane
SMILESCCc1nc2ccccc2[nH]1.CCc1nc2ccccc2[nH]1.S
InChIInChI=1S/2C9H10N2.H2S/c2*1-2-9-10-7-5-3-4-6-8(7)11-9;/h2*3-6H,2H2,1H3,(H,10,11);1H2
InChIKeyXZBRGNAZGJDGGW-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.36
Rot. Bonds2

About bis(2-ethyl-1H-benzimidazole);sulfane

bis(2-ethyl-1H-benzimidazole);sulfane (PubChem CID 68768079) has the molecular formula C18H22N4S and a molecular weight of 326.47 g/mol. Its IUPAC name is bis(2-ethyl-1H-benzimidazole);sulfane.

Molecular Properties

Compound Namebis(2-ethyl-1H-benzimidazole);sulfane
PubChem CID68768079
Molecular FormulaC18H22N4S
Molecular Weight326.47 g/mol
Exact Mass326.16
IUPAC Namebis(2-ethyl-1H-benzimidazole);sulfane
SMILESCCc1nc2ccccc2[nH]1.CCc1nc2ccccc2[nH]1.S
InChIInChI=1S/2C9H10N2.H2S/c2*1-2-9-10-7-5-3-4-6-8(7)11-9;/h2*3-6H,2H2,1H3,(H,10,11);1H2
InChIKeyXZBRGNAZGJDGGW-UHFFFAOYSA-N
XLogP4.36
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-1H-benzimidazole);sulfane?
The IUPAC name of bis(2-ethyl-1H-benzimidazole);sulfane (CID 68768079) is bis(2-ethyl-1H-benzimidazole);sulfane.
What is the SMILES notation for bis(2-ethyl-1H-benzimidazole);sulfane?
The canonical SMILES for bis(2-ethyl-1H-benzimidazole);sulfane is CCc1nc2ccccc2[nH]1.CCc1nc2ccccc2[nH]1.S.
What is the InChIKey of bis(2-ethyl-1H-benzimidazole);sulfane?
The InChIKey is XZBRGNAZGJDGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.H2S/c2*1-2-9-10-7-5-3-4-6-8(7)11-9;/h2*3-6H,2H2,1H3,(H,10,11);1H2.
What are the key properties of bis(2-ethyl-1H-benzimidazole);sulfane?
bis(2-ethyl-1H-benzimidazole);sulfane has a molecular weight of 326.47 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-1H-benzimidazole);sulfane is sourced from PubChem (CID 68768079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).