2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc

C9H10N2SZn — CID 174200783

IUPAC2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
SMILESCSc1cccc2[nH]c(C)nc12.[Zn]
InChIInChI=1S/C9H10N2S.Zn/c1-6-10-7-4-3-5-8(12-2)9(7)11-6;/h3-5H,1-2H3,(H,10,11);
InChIKeyLNUHWAGLEVGBTD-UHFFFAOYSA-N
MW243.65 g/mol
LogP2.59
Rot. Bonds1

About 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc

2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc (PubChem CID 174200783) has the molecular formula C9H10N2SZn and a molecular weight of 243.65 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
PubChem CID174200783
Molecular FormulaC9H10N2SZn
Molecular Weight243.65 g/mol
Exact Mass241.99
IUPAC Name2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
SMILESCSc1cccc2[nH]c(C)nc12.[Zn]
InChIInChI=1S/C9H10N2S.Zn/c1-6-10-7-4-3-5-8(12-2)9(7)11-6;/h3-5H,1-2H3,(H,10,11);
InChIKeyLNUHWAGLEVGBTD-UHFFFAOYSA-N
XLogP2.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(disulfanyl)-2-methyl-1H-benzimidazole
CID 126612674
4-methylsulfanyl-1H-benzimidazole-2-carbonitrile
CID 130850915
4-(2-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70913994
1-(2-methyl-1H-benzimidazol-4-yl)ethanamine;hydrochloride
CID 165495037
2-methyl-1H-benzimidazole-4-carbaldehyde;dihydrochloride
CID 174788493
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
4-[1-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 142770245
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207
2-(2-methylsulfanylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 79217954
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671561

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc?
The IUPAC name of 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc (CID 174200783) is 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc?
The canonical SMILES for 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc is CSc1cccc2[nH]c(C)nc12.[Zn].
What is the InChIKey of 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc?
The InChIKey is LNUHWAGLEVGBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S.Zn/c1-6-10-7-4-3-5-8(12-2)9(7)11-6;/h3-5H,1-2H3,(H,10,11);.
What are the key properties of 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc?
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc has a molecular weight of 243.65 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc is sourced from PubChem (CID 174200783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).