1,4-dimethyl-2-methylsulfanylbenzimidazole

C10H12N2S — CID 54413606

IUPAC1,4-dimethyl-2-methylsulfanylbenzimidazole
SMILESCSc1nc2c(C)cccc2n1C
InChIInChI=1S/C10H12N2S/c1-7-5-4-6-8-9(7)11-10(13-3)12(8)2/h4-6H,1-3H3
InChIKeyVVVQYLWECWYNDO-UHFFFAOYSA-N
MW192.29 g/mol
LogP2.60
Rot. Bonds1

About 1,4-dimethyl-2-methylsulfanylbenzimidazole

1,4-dimethyl-2-methylsulfanylbenzimidazole (PubChem CID 54413606) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 1,4-dimethyl-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-methylsulfanylbenzimidazole
PubChem CID54413606
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name1,4-dimethyl-2-methylsulfanylbenzimidazole
SMILESCSc1nc2c(C)cccc2n1C
InChIInChI=1S/C10H12N2S/c1-7-5-4-6-8-9(7)11-10(13-3)12(8)2/h4-6H,1-3H3
InChIKeyVVVQYLWECWYNDO-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
9,13,15,17,21-pentamethyl-4,11,13,17,19,26-hexazaheptacyclo[14.10.0.03,14.04,12.05,10.018,26.020,25]hexacosa-1(16),2,5,7,9,11,14,18,20,22,24-undecaene
CID 159622123
1,4-dimethyl-2-(3-methylbutyl)benzimidazole
CID 22734749
2-dodecyl-1,4-dimethylbenzimidazole
CID 22734767
4-methyl-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 114041696
1-(2,6-dimethylphenyl)-5-methylsulfanyltetrazole
CID 576491
2-heptan-3-yl-1,4-dimethylbenzimidazole
CID 22734816
1,6-dimethyl-2-methylsulfanyl-4H-imidazo[4,5-b]pyridin-5-one
CID 10036000
5-bromo-1-methyl-2-methylsulfanylbenzimidazole
CID 83679153
2-bromo-4-methyl-1-phenylbenzimidazole
CID 84814016
1-benzyl-2,4-dimethylbenzimidazole
CID 14933027
4,6-dimethylimidazo[1,2-a]quinoxaline
CID 91136364

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-methylsulfanylbenzimidazole?
The IUPAC name of 1,4-dimethyl-2-methylsulfanylbenzimidazole (CID 54413606) is 1,4-dimethyl-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 1,4-dimethyl-2-methylsulfanylbenzimidazole?
The canonical SMILES for 1,4-dimethyl-2-methylsulfanylbenzimidazole is CSc1nc2c(C)cccc2n1C.
What is the InChIKey of 1,4-dimethyl-2-methylsulfanylbenzimidazole?
The InChIKey is VVVQYLWECWYNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-7-5-4-6-8-9(7)11-10(13-3)12(8)2/h4-6H,1-3H3.
What are the key properties of 1,4-dimethyl-2-methylsulfanylbenzimidazole?
1,4-dimethyl-2-methylsulfanylbenzimidazole has a molecular weight of 192.29 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 54413606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).