1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine

C12H15F2N3S — CID 113499218

IUPAC1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
SMILESCCSCC(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-10-5-8(13)4-9(14)11(10)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyNUPLDJYJPVQKLZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.21
Rot. Bonds4

About 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine

1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 113499218) has the molecular formula C12H15F2N3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
PubChem CID113499218
Molecular FormulaC12H15F2N3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
SMILESCCSCC(C)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-10-5-8(13)4-9(14)11(10)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16)
InChIKeyNUPLDJYJPVQKLZ-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

4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
CID 115508707
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
CID 115508677
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
1-(1-ethylsulfanylpropan-2-yl)-6,7-difluorobenzimidazol-2-amine
CID 113499207
4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine (CID 113499218) is 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine is CCSCC(C)n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is NUPLDJYJPVQKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3S/c1-3-18-6-7(2)17-10-5-8(13)4-9(14)11(10)16-12(17)15/h4-5,7H,3,6H2,1-2H3,(H2,15,16).
What are the key properties of 1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine?
1-(1-ethylsulfanylpropan-2-yl)-4,6-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)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 113499218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).