4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine

C13H11F2N3O — CID 115508677

IUPAC4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
SMILESCC(c1ccco1)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2N3O/c1-7(11-3-2-4-19-11)18-10-6-8(14)5-9(15)12(10)17-13(18)16/h2-7H,1H3,(H2,16,17)
InChIKeyFIANISADUKJEOA-UHFFFAOYSA-N
MW263.25 g/mol
LogP3.10
Rot. Bonds2

About 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine

4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 115508677) has the molecular formula C13H11F2N3O and a molecular weight of 263.25 g/mol. Its IUPAC name is 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
PubChem CID115508677
Molecular FormulaC13H11F2N3O
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
SMILESCC(c1ccco1)n1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C13H11F2N3O/c1-7(11-3-2-4-19-11)18-10-6-8(14)5-9(15)12(10)17-13(18)16/h2-7H,1H3,(H2,16,17)
InChIKeyFIANISADUKJEOA-UHFFFAOYSA-N
XLogP3.10
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115508823
1-(1-ethylsulfanylpropan-2-yl)-4,6-difluorobenzimidazol-2-amine
CID 113499218
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)propanoate
CID 113325619
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522
4,6-difluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazol-2-amine
CID 115508707
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79300400
2-(chloromethyl)-4,6-difluoro-1-[1-(furan-2-yl)propan-2-yl]benzimidazole
CID 115509302
methyl 2-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-methylbutanoate
CID 115508780
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
5-bromo-2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 66085957
2-(2-chloroethyl)-6-fluoro-1-[1-(furan-2-yl)ethyl]benzimidazole
CID 62376171
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine (CID 115508677) is 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine is CC(c1ccco1)n1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is FIANISADUKJEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O/c1-7(11-3-2-4-19-11)18-10-6-8(14)5-9(15)12(10)17-13(18)16/h2-7H,1H3,(H2,16,17).
What are the key properties of 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine?
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 263.25 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115508677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).