[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol

C13H16N2O3S — CID 1479649

IUPAC[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol
SMILESCc1cccc(CS(=O)(=O)c2ncc(CO)n2C)c1
InChIInChI=1S/C13H16N2O3S/c1-10-4-3-5-11(6-10)9-19(17,18)13-14-7-12(8-16)15(13)2/h3-7,16H,8-9H2,1-2H3
InChIKeyKNRCNKPLVRJGLR-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.19
Rot. Bonds4

About [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol

[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol (PubChem CID 1479649) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol
PubChem CID1479649
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol
SMILESCc1cccc(CS(=O)(=O)c2ncc(CO)n2C)c1
InChIInChI=1S/C13H16N2O3S/c1-10-4-3-5-11(6-10)9-19(17,18)13-14-7-12(8-16)15(13)2/h3-7,16H,8-9H2,1-2H3
InChIKeyKNRCNKPLVRJGLR-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol?
The IUPAC name of [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol (CID 1479649) is [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol is Cc1cccc(CS(=O)(=O)c2ncc(CO)n2C)c1.
What is the InChIKey of [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol?
The InChIKey is KNRCNKPLVRJGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-10-4-3-5-11(6-10)9-19(17,18)13-14-7-12(8-16)15(13)2/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol?
[3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol has a molecular weight of 280.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(3-methylphenyl)methylsulfonyl]imidazol-4-yl]methanol is sourced from PubChem (CID 1479649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).