2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole

C16H18N2S — CID 123276535

IUPAC2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc(CSC2Nc3ccccc3N2)cc1C
InChIInChI=1S/C16H18N2S/c1-11-7-8-13(9-12(11)2)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9,16-18H,10H2,1-2H3
InChIKeyGQXVGAIOSQMPRL-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.36
Rot. Bonds3

About 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole

2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole (PubChem CID 123276535) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
PubChem CID123276535
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole
SMILESCc1ccc(CSC2Nc3ccccc3N2)cc1C
InChIInChI=1S/C16H18N2S/c1-11-7-8-13(9-12(11)2)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9,16-18H,10H2,1-2H3
InChIKeyGQXVGAIOSQMPRL-UHFFFAOYSA-N
XLogP4.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The IUPAC name of 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole (CID 123276535) is 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole is Cc1ccc(CSC2Nc3ccccc3N2)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
The InChIKey is GQXVGAIOSQMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-11-7-8-13(9-12(11)2)10-19-16-17-14-5-3-4-6-15(14)18-16/h3-9,16-18H,10H2,1-2H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole?
2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole has a molecular weight of 270.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methylsulfanyl]-2,3-dihydro-1H-benzimidazole is sourced from PubChem (CID 123276535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).