1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine

C11H14N4O2S — CID 174757485

IUPAC1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine
SMILESCS(=O)(=O)c1ccc(Cn2cnc(N)c2N)cc1
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)9-4-2-8(3-5-9)6-15-7-14-10(12)11(15)13/h2-5,7H,6,12-13H2,1H3
InChIKeyVGOWARXBVBKLAG-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.50
Rot. Bonds3

About 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine

1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine (PubChem CID 174757485) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine.

Molecular Properties

Compound Name1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine
PubChem CID174757485
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine
SMILESCS(=O)(=O)c1ccc(Cn2cnc(N)c2N)cc1
InChIInChI=1S/C11H14N4O2S/c1-18(16,17)9-4-2-8(3-5-9)6-15-7-14-10(12)11(15)13/h2-5,7H,6,12-13H2,1H3
InChIKeyVGOWARXBVBKLAG-UHFFFAOYSA-N
XLogP0.50
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methylsulfonyl-1-[(4-methylsulfonylphenyl)methyl]pyrazole
CID 154786420
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
1-(3-amino-1,2,4-triazol-1-yl)-2-(4-methylsulfonylphenyl)ethanone
CID 110486466
3-[(4-methylsulfonylphenyl)methyl]-1H-imidazol-2-one
CID 103125433
2-(4-bromophenyl)-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 82562213
3-[(4-methylsulfonylphenyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79273085
1-ethyl-4-methylsulfonylbenzene
CID 143759723
2-[(4-methylsulfonylphenyl)methyl]-4-(1,2,4-triazol-4-yl)isoquinolin-1-one
CID 139995843
4-[[2-[(4-methylsulfonylphenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561532
6-[3-(3-methylphenyl)prop-1-ynyl]-3-[(4-methylsulfonylphenyl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 22482160
3,5-dimethyl-1-[(4-methylsulfonylphenyl)methyl]-4-nitrosopyrazole
CID 123924694
2-(4-methylsulfonylphenyl)ethanamine chloride
CID 20849935

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine?
The IUPAC name of 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine (CID 174757485) is 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine.
What is the SMILES notation for 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine?
The canonical SMILES for 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine is CS(=O)(=O)c1ccc(Cn2cnc(N)c2N)cc1.
What is the InChIKey of 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine?
The InChIKey is VGOWARXBVBKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-18(16,17)9-4-2-8(3-5-9)6-15-7-14-10(12)11(15)13/h2-5,7H,6,12-13H2,1H3.
What are the key properties of 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine?
1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine has a molecular weight of 266.33 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylphenyl)methyl]imidazole-4,5-diamine is sourced from PubChem (CID 174757485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).