6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole

C11H14N2O2S — CID 20680808

IUPAC6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole
SMILESCc1ccc2nc(S(=O)(=O)C(C)C)[nH]c2c1
InChIInChI=1S/C11H14N2O2S/c1-7(2)16(14,15)11-12-9-5-4-8(3)6-10(9)13-11/h4-7H,1-3H3,(H,12,13)
InChIKeyLXEXAFIKBZLQKE-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.05
Rot. Bonds2

About 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole

6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole (PubChem CID 20680808) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole
PubChem CID20680808
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole
SMILESCc1ccc2nc(S(=O)(=O)C(C)C)[nH]c2c1
InChIInChI=1S/C11H14N2O2S/c1-7(2)16(14,15)11-12-9-5-4-8(3)6-10(9)13-11/h4-7H,1-3H3,(H,12,13)
InChIKeyLXEXAFIKBZLQKE-UHFFFAOYSA-N
XLogP2.05
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methanol;(1S)-1-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 143560224
1-(6-methyl-1H-benzimidazol-2-yl)ethylphosphonic acid
CID 23453418
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
2-[(6-amino-1H-benzimidazol-2-yl)sulfonyl]-N,N-dimethylpropanamide
CID 61367440
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
N-(3,4-dimethylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfonyl]acetamide
CID 23969973
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
2-(4-methylphenyl)sulfonyl-6-nitro-1H-benzimidazole
CID 57176725
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole?
The IUPAC name of 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole (CID 20680808) is 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole is Cc1ccc2nc(S(=O)(=O)C(C)C)[nH]c2c1.
What is the InChIKey of 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole?
The InChIKey is LXEXAFIKBZLQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-7(2)16(14,15)11-12-9-5-4-8(3)6-10(9)13-11/h4-7H,1-3H3,(H,12,13).
What are the key properties of 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole?
6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole has a molecular weight of 238.31 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-ylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 20680808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).