3H-[1]benzothiolo[3,2-e]benzimidazole

C13H8N2S — CID 71739036

IUPAC3H-[1]benzothiolo[3,2-e]benzimidazole
SMILESc1ccc2c(c1)sc1ccc3[nH]cnc3c12
InChIInChI=1S/C13H8N2S/c1-2-4-10-8(3-1)12-11(16-10)6-5-9-13(12)15-7-14-9/h1-7H,(H,14,15)
InChIKeyRXIBIMOALHAANA-UHFFFAOYSA-N
MW224.29 g/mol
LogP3.93
Rot. Bonds

About 3H-[1]benzothiolo[3,2-e]benzimidazole

3H-[1]benzothiolo[3,2-e]benzimidazole (PubChem CID 71739036) has the molecular formula C13H8N2S and a molecular weight of 224.29 g/mol. Its IUPAC name is 3H-[1]benzothiolo[3,2-e]benzimidazole.

Molecular Properties

Compound Name3H-[1]benzothiolo[3,2-e]benzimidazole
PubChem CID71739036
Molecular FormulaC13H8N2S
Molecular Weight224.29 g/mol
Exact Mass224.04
IUPAC Name3H-[1]benzothiolo[3,2-e]benzimidazole
SMILESc1ccc2c(c1)sc1ccc3[nH]cnc3c12
InChIInChI=1S/C13H8N2S/c1-2-4-10-8(3-1)12-11(16-10)6-5-9-13(12)15-7-14-9/h1-7H,(H,14,15)
InChIKeyRXIBIMOALHAANA-UHFFFAOYSA-N
XLogP3.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-[1]benzothiolo[3,2-e]benzimidazole?
The IUPAC name of 3H-[1]benzothiolo[3,2-e]benzimidazole (CID 71739036) is 3H-[1]benzothiolo[3,2-e]benzimidazole.
What is the SMILES notation for 3H-[1]benzothiolo[3,2-e]benzimidazole?
The canonical SMILES for 3H-[1]benzothiolo[3,2-e]benzimidazole is c1ccc2c(c1)sc1ccc3[nH]cnc3c12.
What is the InChIKey of 3H-[1]benzothiolo[3,2-e]benzimidazole?
The InChIKey is RXIBIMOALHAANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2S/c1-2-4-10-8(3-1)12-11(16-10)6-5-9-13(12)15-7-14-9/h1-7H,(H,14,15).
What are the key properties of 3H-[1]benzothiolo[3,2-e]benzimidazole?
3H-[1]benzothiolo[3,2-e]benzimidazole has a molecular weight of 224.29 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1]benzothiolo[3,2-e]benzimidazole is sourced from PubChem (CID 71739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).