1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine

C12H15F2N3S — CID 113499207

IUPAC1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
SMILESCCSCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-11-9(16-12(17)15)5-4-8(13)10(11)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyWSCXWGDUQPUIHJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.21
Rot. Bonds4

About 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine

1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine (PubChem CID 113499207) has the molecular formula C12H15F2N3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
PubChem CID113499207
Molecular FormulaC12H15F2N3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
SMILESCCSCC(C)n1c(N)nc2ccc(F)c(F)c21
InChIInChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-11-9(16-12(17)15)5-4-8(13)10(11)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyWSCXWGDUQPUIHJ-UHFFFAOYSA-N
XLogP3.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazol-2-amine
CID 55086320
6,7-difluoro-1-(6-methylheptan-2-yl)benzimidazol-2-amine
CID 62532732
6,7-difluoro-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 113466697
6,7-difluoro-1-methylbenzimidazol-2-amine
CID 62532542
3-(1-ethylsulfanylpropan-2-yl)-4,5-difluoro-1H-benzimidazole-2-thione
CID 113499197
1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
CID 62532578
6,7-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143531
6,7-difluoro-1-(2-methylsulfanylphenyl)benzimidazol-2-amine
CID 107645393
2-(chloromethyl)-6,7-difluoro-1-(1-methoxypropan-2-yl)benzimidazole
CID 62533238
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6,7-difluorobenzimidazol-2-amine
CID 106302379
6,7-difluoro-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 63546227

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine (CID 113499207) is 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine is CCSCC(C)n1c(N)nc2ccc(F)c(F)c21.
What is the InChIKey of 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine?
The InChIKey is WSCXWGDUQPUIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-11-9(16-12(17)15)5-4-8(13)10(11)14/h4-5,7H,3,6H2,1-2H3,(H2,15,16).
What are the key properties of 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine?
1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine has a molecular weight of 271.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine is sourced from PubChem (CID 113499207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).