1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole

C17H20N2S — CID 146578426

IUPAC1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole
SMILESCSc1cccc(C)c1C1N(C)c2ccccc2N1C
InChIInChI=1S/C17H20N2S/c1-12-8-7-11-15(20-4)16(12)17-18(2)13-9-5-6-10-14(13)19(17)3/h5-11,17H,1-4H3
InChIKeyCVIMTZINJMWEOA-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.30
Rot. Bonds2

About 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole

1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole (PubChem CID 146578426) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole
PubChem CID146578426
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole
SMILESCSc1cccc(C)c1C1N(C)c2ccccc2N1C
InChIInChI=1S/C17H20N2S/c1-12-8-7-11-15(20-4)16(12)17-18(2)13-9-5-6-10-14(13)19(17)3/h5-11,17H,1-4H3
InChIKeyCVIMTZINJMWEOA-UHFFFAOYSA-N
XLogP4.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole?
The IUPAC name of 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole (CID 146578426) is 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole?
The canonical SMILES for 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole is CSc1cccc(C)c1C1N(C)c2ccccc2N1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole?
The InChIKey is CVIMTZINJMWEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-12-8-7-11-15(20-4)16(12)17-18(2)13-9-5-6-10-14(13)19(17)3/h5-11,17H,1-4H3.
What are the key properties of 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole?
1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole has a molecular weight of 284.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methyl-6-methylsulfanylphenyl)-2H-benzimidazole is sourced from PubChem (CID 146578426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).