6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine

C11H13F2N3S — CID 113466697

IUPAC6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSC(C)Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H13F2N3S/c1-6(17-2)5-16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyKVBFRCCRCDPQNG-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.65
Rot. Bonds3

About 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine

6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine (PubChem CID 113466697) has the molecular formula C11H13F2N3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
PubChem CID113466697
Molecular FormulaC11H13F2N3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
SMILESCSC(C)Cn1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C11H13F2N3S/c1-6(17-2)5-16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeyKVBFRCCRCDPQNG-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine (CID 113466697) is 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine is CSC(C)Cn1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
The InChIKey is KVBFRCCRCDPQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3S/c1-6(17-2)5-16-10-8(15-11(16)14)4-3-7(12)9(10)13/h3-4,6H,5H2,1-2H3,(H2,14,15).
What are the key properties of 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine?
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine has a molecular weight of 257.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 113466697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).