2-methyl-3H-benzimidazole-5-thiol

C8H8N2S — CID 43154899

IUPAC2-methyl-3H-benzimidazole-5-thiol
SMILESCc1nc2ccc(S)cc2[nH]1
InChIInChI=1S/C8H8N2S/c1-5-9-7-3-2-6(11)4-8(7)10-5/h2-4,11H,1H3,(H,9,10)
InChIKeyYXKUIDJNYJGXFY-UHFFFAOYSA-N
MW164.23 g/mol
LogP2.16
Rot. Bonds

About 2-methyl-3H-benzimidazole-5-thiol

2-methyl-3H-benzimidazole-5-thiol (PubChem CID 43154899) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-methyl-3H-benzimidazole-5-thiol.

Molecular Properties

Compound Name2-methyl-3H-benzimidazole-5-thiol
PubChem CID43154899
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2-methyl-3H-benzimidazole-5-thiol
SMILESCc1nc2ccc(S)cc2[nH]1
InChIInChI=1S/C8H8N2S/c1-5-9-7-3-2-6(11)4-8(7)10-5/h2-4,11H,1H3,(H,9,10)
InChIKeyYXKUIDJNYJGXFY-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3H-benzimidazole-5-thiol
CID 131052875
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
(2-methyl-3H-benzimidazol-5-yl)boronic acid
CID 119084623
2-phenyl-3H-benzimidazole-5-thiol
CID 57216404
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
ethane;S-(2-methyl-3H-benzimidazol-5-yl)thiohydroxylamine
CID 156727544
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713
2-methyl-1H-benzimidazole
CID 11984
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 158790051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-benzimidazole-5-thiol?
The IUPAC name of 2-methyl-3H-benzimidazole-5-thiol (CID 43154899) is 2-methyl-3H-benzimidazole-5-thiol.
What is the SMILES notation for 2-methyl-3H-benzimidazole-5-thiol?
The canonical SMILES for 2-methyl-3H-benzimidazole-5-thiol is Cc1nc2ccc(S)cc2[nH]1.
What is the InChIKey of 2-methyl-3H-benzimidazole-5-thiol?
The InChIKey is YXKUIDJNYJGXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c1-5-9-7-3-2-6(11)4-8(7)10-5/h2-4,11H,1H3,(H,9,10).
What are the key properties of 2-methyl-3H-benzimidazole-5-thiol?
2-methyl-3H-benzimidazole-5-thiol has a molecular weight of 164.23 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-benzimidazole-5-thiol is sourced from PubChem (CID 43154899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).