4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

C12H10F2N4S — CID 115508865

IUPAC4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CCc1nccs1
InChIInChI=1S/C12H10F2N4S/c13-7-5-8(14)11-9(6-7)18(12(15)17-11)3-1-10-16-2-4-19-10/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyZHOJIDGAKLQLSH-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.60
Rot. Bonds3

About 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine

4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 115508865) has the molecular formula C12H10F2N4S and a molecular weight of 280.30 g/mol. Its IUPAC name is 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
PubChem CID115508865
Molecular FormulaC12H10F2N4S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1CCc1nccs1
InChIInChI=1S/C12H10F2N4S/c13-7-5-8(14)11-9(6-7)18(12(15)17-11)3-1-10-16-2-4-19-10/h2,4-6H,1,3H2,(H2,15,17)
InChIKeyZHOJIDGAKLQLSH-UHFFFAOYSA-N
XLogP2.60
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088253
5-fluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 63240191
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
CID 115508709
2-amino-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carbonitrile
CID 104718973
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
4,6-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
CID 115508885
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine (CID 115508865) is 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1CCc1nccs1.
What is the InChIKey of 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is ZHOJIDGAKLQLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4S/c13-7-5-8(14)11-9(6-7)18(12(15)17-11)3-1-10-16-2-4-19-10/h2,4-6H,1,3H2,(H2,15,17).
What are the key properties of 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine?
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 280.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115508865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).