1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine

C11H15N3O2S — CID 64643418

IUPAC1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CS(C)(=O)=O)n1c(N)nc2ccccc21
InChIInChI=1S/C11H15N3O2S/c1-8(7-17(2,15)16)14-10-6-4-3-5-9(10)13-11(14)12/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyNYBVDHDAUQWBQQ-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.22
Rot. Bonds3

About 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine

1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine (PubChem CID 64643418) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
PubChem CID64643418
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
SMILESCC(CS(C)(=O)=O)n1c(N)nc2ccccc21
InChIInChI=1S/C11H15N3O2S/c1-8(7-17(2,15)16)14-10-6-4-3-5-9(10)13-11(14)12/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKeyNYBVDHDAUQWBQQ-UHFFFAOYSA-N
XLogP1.22
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine (CID 64643418) is 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine is CC(CS(C)(=O)=O)n1c(N)nc2ccccc21.
What is the InChIKey of 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is NYBVDHDAUQWBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(7-17(2,15)16)14-10-6-4-3-5-9(10)13-11(14)12/h3-6,8H,7H2,1-2H3,(H2,12,13).
What are the key properties of 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine?
1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 64643418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).