4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen

C11H18F2N2S — CID 168904210

IUPAC4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen
SMILESCSC.Cc1c(F)cc2c(c1F)N(C)CN2.[H][H]
InChIInChI=1S/C9H10F2N2.C2H6S.H2/c1-5-6(10)3-7-9(8(5)11)13(2)4-12-7;1-3-2;/h3,12H,4H2,1-2H3;1-2H3;1H
InChIKeyVIKFIFRXDQMUEO-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.32
Rot. Bonds

About 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen

4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen (PubChem CID 168904210) has the molecular formula C11H18F2N2S and a molecular weight of 248.34 g/mol. Its IUPAC name is 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen.

Molecular Properties

Compound Name4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen
PubChem CID168904210
Molecular FormulaC11H18F2N2S
Molecular Weight248.34 g/mol
Exact Mass248.12
IUPAC Name4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen
SMILESCSC.Cc1c(F)cc2c(c1F)N(C)CN2.[H][H]
InChIInChI=1S/C9H10F2N2.C2H6S.H2/c1-5-6(10)3-7-9(8(5)11)13(2)4-12-7;1-3-2;/h3,12H,4H2,1-2H3;1-2H3;1H
InChIKeyVIKFIFRXDQMUEO-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen?
The IUPAC name of 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen (CID 168904210) is 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen.
What is the SMILES notation for 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen?
The canonical SMILES for 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen is CSC.Cc1c(F)cc2c(c1F)N(C)CN2.[H][H].
What is the InChIKey of 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen?
The InChIKey is VIKFIFRXDQMUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2.C2H6S.H2/c1-5-6(10)3-7-9(8(5)11)13(2)4-12-7;1-3-2;/h3,12H,4H2,1-2H3;1-2H3;1H.
What are the key properties of 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen?
4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen has a molecular weight of 248.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3,5-dimethyl-1,2-dihydrobenzimidazole;methylsulfanylmethane;molecular hydrogen is sourced from PubChem (CID 168904210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).