5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione

C9H10N2S — CID 2731017

IUPAC5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1cc2[nH]c(=S)[nH]c2cc1C
InChIInChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyCKUXMYYDAQIJRQ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.84
Rot. Bonds

About 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione

5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione (PubChem CID 2731017) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione.

Molecular Properties

Compound Name5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione
PubChem CID2731017
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione
SMILESCc1cc2[nH]c(=S)[nH]c2cc1C
InChIInChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyCKUXMYYDAQIJRQ-UHFFFAOYSA-N
XLogP2.84
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione?
The IUPAC name of 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione (CID 2731017) is 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione.
What is the SMILES notation for 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione?
The canonical SMILES for 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione is Cc1cc2[nH]c(=S)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione?
The InChIKey is CKUXMYYDAQIJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-5-3-7-8(4-6(5)2)11-9(12)10-7/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione?
5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione has a molecular weight of 178.26 g/mol, XLogP of 2.84, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,3-dihydrobenzimidazole-2-thione is sourced from PubChem (CID 2731017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).