3-propan-2-yl-1H-benzimidazole-2-thione

C10H12N2S — CID 720070

IUPAC3-propan-2-yl-1H-benzimidazole-2-thione
SMILESCC(C)n1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H12N2S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13)
InChIKeyBIYKMLUIQQIMGB-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.28
Rot. Bonds1

About 3-propan-2-yl-1H-benzimidazole-2-thione

3-propan-2-yl-1H-benzimidazole-2-thione (PubChem CID 720070) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 3-propan-2-yl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name3-propan-2-yl-1H-benzimidazole-2-thione
PubChem CID720070
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name3-propan-2-yl-1H-benzimidazole-2-thione
SMILESCC(C)n1c(=S)[nH]c2ccccc21
InChIInChI=1S/C10H12N2S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13)
InChIKeyBIYKMLUIQQIMGB-UHFFFAOYSA-N
XLogP3.28
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-benzimidazole-2-thione?
The IUPAC name of 3-propan-2-yl-1H-benzimidazole-2-thione (CID 720070) is 3-propan-2-yl-1H-benzimidazole-2-thione.
What is the SMILES notation for 3-propan-2-yl-1H-benzimidazole-2-thione?
The canonical SMILES for 3-propan-2-yl-1H-benzimidazole-2-thione is CC(C)n1c(=S)[nH]c2ccccc21.
What is the InChIKey of 3-propan-2-yl-1H-benzimidazole-2-thione?
The InChIKey is BIYKMLUIQQIMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13).
What are the key properties of 3-propan-2-yl-1H-benzimidazole-2-thione?
3-propan-2-yl-1H-benzimidazole-2-thione has a molecular weight of 192.29 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-benzimidazole-2-thione is sourced from PubChem (CID 720070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).