2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine

C11H14N4O2S — CID 55012185

IUPAC2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccc(S(C)(=O)=O)cc2)c(N)[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7-13-10(12)11(14-7)15-8-3-5-9(6-4-8)18(2,16)17/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyITVTXGPAUSHDQS-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine (PubChem CID 55012185) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine
PubChem CID55012185
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(Nc2ccc(S(C)(=O)=O)cc2)c(N)[nH]1
InChIInChI=1S/C11H14N4O2S/c1-7-13-10(12)11(14-7)15-8-3-5-9(6-4-8)18(2,16)17/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyITVTXGPAUSHDQS-UHFFFAOYSA-N
XLogP1.45
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine (CID 55012185) is 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine is Cc1nc(Nc2ccc(S(C)(=O)=O)cc2)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine?
The InChIKey is ITVTXGPAUSHDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-13-10(12)11(14-7)15-8-3-5-9(6-4-8)18(2,16)17/h3-6,15H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine has a molecular weight of 266.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(4-methylsulfonylphenyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 55012185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).