(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol

C13H16N2O4S — CID 124611667

IUPAC(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol
SMILESCn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@H](O)CO
InChIInChI=1S/C13H16N2O4S/c1-15-12(10-5-3-2-4-6-10)7-14-13(15)20(18,19)9-11(17)8-16/h2-7,11,16-17H,8-9H2,1H3/t11-/m1/s1
InChIKeyVRSOXSCRQCYHGZ-LLVKDONJSA-N
MW296.35 g/mol
LogP0.21
Rot. Bonds5

About (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol

(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol (PubChem CID 124611667) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol
PubChem CID124611667
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol
SMILESCn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@H](O)CO
InChIInChI=1S/C13H16N2O4S/c1-15-12(10-5-3-2-4-6-10)7-14-13(15)20(18,19)9-11(17)8-16/h2-7,11,16-17H,8-9H2,1H3/t11-/m1/s1
InChIKeyVRSOXSCRQCYHGZ-LLVKDONJSA-N
XLogP0.21
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Ethylsulfanyl-4,5-diphenylimidazol-1-yl)propane-1,2-diol
CID 4096565
[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CID 6460483
3-(4-(4-Fluorophenyl)-1-methyl-5-(pyridin-4yl)-1H-imidazol-2-ylthio)propane-1,2-diol
CID 25107843
3-[(1-Methyl-4,5-diphenylimidazol-2-yl)sulfonylmethyl]pyridine
CID 72164161
[5-(4-Fluoro-phenyl)-1-propyl-1H-imidazol-2-ylsulfanyl]-acetic acid
CID 651233
N,N-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)sulfinylmethyl]aniline
CID 10497316
N,N-dimethyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfinylmethyl]aniline
CID 10521063
({1-benzyl-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isobutyl(methyl)amine
CID 26406980
1-[1-benzyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]-N,N-dimethylmethanamine
CID 42290131
2-(ethylsulfonyl)-1-(2-phenylethyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42520333
(4-ethylbenzyl){[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}methylamine
CID 42528686
({1-benzyl-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)dimethylamine
CID 42529175

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol?
The IUPAC name of (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol (CID 124611667) is (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol.
What is the SMILES notation for (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol?
The canonical SMILES for (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol is Cn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@H](O)CO.
What is the InChIKey of (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol?
The InChIKey is VRSOXSCRQCYHGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-15-12(10-5-3-2-4-6-10)7-14-13(15)20(18,19)9-11(17)8-16/h2-7,11,16-17H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol?
(2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol has a molecular weight of 296.35 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1-methyl-5-phenylimidazol-2-yl)sulfonylpropane-1,2-diol is sourced from PubChem (CID 124611667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).