4-ethyl-3-methyl-1H-benzimidazole-2-thione

C10H12N2S — CID 84619126

IUPAC4-ethyl-3-methyl-1H-benzimidazole-2-thione
SMILESCCc1cccc2[nH]c(=S)n(C)c12
InChIInChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyURYVQLITDBTWPG-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.80
Rot. Bonds1

About 4-ethyl-3-methyl-1H-benzimidazole-2-thione

4-ethyl-3-methyl-1H-benzimidazole-2-thione (PubChem CID 84619126) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-ethyl-3-methyl-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name4-ethyl-3-methyl-1H-benzimidazole-2-thione
PubChem CID84619126
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-ethyl-3-methyl-1H-benzimidazole-2-thione
SMILESCCc1cccc2[nH]c(=S)n(C)c12
InChIInChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyURYVQLITDBTWPG-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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 4-ethyl-3-methyl-1H-benzimidazole-2-thione?
The IUPAC name of 4-ethyl-3-methyl-1H-benzimidazole-2-thione (CID 84619126) is 4-ethyl-3-methyl-1H-benzimidazole-2-thione.
What is the SMILES notation for 4-ethyl-3-methyl-1H-benzimidazole-2-thione?
The canonical SMILES for 4-ethyl-3-methyl-1H-benzimidazole-2-thione is CCc1cccc2[nH]c(=S)n(C)c12.
What is the InChIKey of 4-ethyl-3-methyl-1H-benzimidazole-2-thione?
The InChIKey is URYVQLITDBTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-3-7-5-4-6-8-9(7)12(2)10(13)11-8/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of 4-ethyl-3-methyl-1H-benzimidazole-2-thione?
4-ethyl-3-methyl-1H-benzimidazole-2-thione has a molecular weight of 192.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-1H-benzimidazole-2-thione is sourced from PubChem (CID 84619126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).