6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen

C11H16N2O2S — CID 142431788

IUPAC6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
SMILESCC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1.[H][H]
InChIInChI=1S/C11H14N2O2S.H2/c1-7(2)11-12-9-5-4-8(16(3,14)15)6-10(9)13-11;/h4-7H,1-3H3,(H,12,13);1H
InChIKeyIMUCMHMDIAGBCX-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.34
Rot. Bonds2

About 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen

6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen (PubChem CID 142431788) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen.

Molecular Properties

Compound Name6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
PubChem CID142431788
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen
SMILESCC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1.[H][H]
InChIInChI=1S/C11H14N2O2S.H2/c1-7(2)11-12-9-5-4-8(16(3,14)15)6-10(9)13-11;/h4-7H,1-3H3,(H,12,13);1H
InChIKeyIMUCMHMDIAGBCX-UHFFFAOYSA-N
XLogP2.34
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen?
The IUPAC name of 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen (CID 142431788) is 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen.
What is the SMILES notation for 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen?
The canonical SMILES for 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen is CC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1.[H][H].
What is the InChIKey of 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen?
The InChIKey is IMUCMHMDIAGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S.H2/c1-7(2)11-12-9-5-4-8(16(3,14)15)6-10(9)13-11;/h4-7H,1-3H3,(H,12,13);1H.
What are the key properties of 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen?
6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen has a molecular weight of 240.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-propan-2-yl-1H-benzimidazole;molecular hydrogen is sourced from PubChem (CID 142431788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).