4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine

C10H12FN3O2S — CID 54934889

IUPAC4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
SMILESCS(=O)(=O)CCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C10H12FN3O2S/c1-17(15,16)6-5-14-8-4-2-3-7(11)9(8)13-10(14)12/h2-4H,5-6H2,1H3,(H2,12,13)
InChIKeyWJZRHIOZNWJTHH-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.80
Rot. Bonds3

About 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine

4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine (PubChem CID 54934889) has the molecular formula C10H12FN3O2S and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
PubChem CID54934889
Molecular FormulaC10H12FN3O2S
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC Name4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
SMILESCS(=O)(=O)CCn1c(N)nc2c(F)cccc21
InChIInChI=1S/C10H12FN3O2S/c1-17(15,16)6-5-14-8-4-2-3-7(11)9(8)13-10(14)12/h2-4H,5-6H2,1H3,(H2,12,13)
InChIKeyWJZRHIOZNWJTHH-UHFFFAOYSA-N
XLogP0.80
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine (CID 54934889) is 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine is CS(=O)(=O)CCn1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The InChIKey is WJZRHIOZNWJTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2S/c1-17(15,16)6-5-14-8-4-2-3-7(11)9(8)13-10(14)12/h2-4H,5-6H2,1H3,(H2,12,13).
What are the key properties of 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine has a molecular weight of 257.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine is sourced from PubChem (CID 54934889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).