4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine

C12H9F2N3S — CID 115508867

IUPAC4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1Cc1ccsc1
InChIInChI=1S/C12H9F2N3S/c13-8-3-9(14)11-10(4-8)17(12(15)16-11)5-7-1-2-18-6-7/h1-4,6H,5H2,(H2,15,16)
InChIKeyMZKZDGSAZKEALC-UHFFFAOYSA-N
MW265.29 g/mol
LogP3.01
Rot. Bonds2

About 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine

4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine (PubChem CID 115508867) has the molecular formula C12H9F2N3S and a molecular weight of 265.29 g/mol. Its IUPAC name is 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
PubChem CID115508867
Molecular FormulaC12H9F2N3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Name4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1Cc1ccsc1
InChIInChI=1S/C12H9F2N3S/c13-8-3-9(14)11-10(4-8)17(12(15)16-11)5-7-1-2-18-6-7/h1-4,6H,5H2,(H2,15,16)
InChIKeyMZKZDGSAZKEALC-UHFFFAOYSA-N
XLogP3.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115508787
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
1,3-dimethyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297435
4,6-difluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 115508969
3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299850
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
2-(2-chloroethyl)-4-fluoro-1-(thiophen-3-ylmethyl)benzimidazole
CID 55173723

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine (CID 115508867) is 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1Cc1ccsc1.
What is the InChIKey of 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is MZKZDGSAZKEALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3S/c13-8-3-9(14)11-10(4-8)17(12(15)16-11)5-7-1-2-18-6-7/h1-4,6H,5H2,(H2,15,16).
What are the key properties of 4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine?
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 265.29 g/mol, XLogP of 3.01, 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-(thiophen-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 115508867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).