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

C11H13F2N3O2S — CID 115508787

IUPAC4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
SMILESCS(=O)(=O)CCCn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N3O2S/c1-19(17,18)4-2-3-16-9-6-7(12)5-8(13)10(9)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyACPQUZCOGODENL-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.33
Rot. Bonds4

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

4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine (PubChem CID 115508787) has the molecular formula C11H13F2N3O2S and a molecular weight of 289.31 g/mol. Its IUPAC name is 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
PubChem CID115508787
Molecular FormulaC11H13F2N3O2S
Molecular Weight289.31 g/mol
Exact Mass289.07
IUPAC Name4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
SMILESCS(=O)(=O)CCCn1c(N)nc2c(F)cc(F)cc21
InChIInChI=1S/C11H13F2N3O2S/c1-19(17,18)4-2-3-16-9-6-7(12)5-8(13)10(9)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15)
InChIKeyACPQUZCOGODENL-UHFFFAOYSA-N
XLogP1.33
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-chloroethyl)-4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazole
CID 115509367
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
4,6-difluoro-1-(2,3,3-trimethylbutyl)benzimidazol-2-amine
CID 83143532
4,6-difluoro-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 115508865
4,6-difluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
CID 115508709
4,6-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-2-amine
CID 115508885
4,6-difluoro-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzimidazol-2-amine
CID 106406005
4,6-difluoro-1-(2-methyl-3-methylsulfanylpropyl)benzimidazol-2-amine
CID 115508892
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 115508683
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
4,6-difluoro-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzimidazol-2-amine
CID 115508797
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The IUPAC name of 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine (CID 115508787) is 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine is CS(=O)(=O)CCCn1c(N)nc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The InChIKey is ACPQUZCOGODENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2S/c1-19(17,18)4-2-3-16-9-6-7(12)5-8(13)10(9)15-11(16)14/h5-6H,2-4H2,1H3,(H2,14,15).
What are the key properties of 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine has a molecular weight of 289.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-(3-methylsulfonylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115508787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).