2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole

C19H22N2O3S — CID 5297453

IUPAC2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-18-10-9-17(13-15(18)2)25(22,23)21-12-11-20-19(21)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyPPWBUSNOASRXSH-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.04
Rot. Bonds6

About 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole

2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole (PubChem CID 5297453) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole
PubChem CID5297453
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3S/c1-3-24-18-10-9-17(13-15(18)2)25(22,23)21-12-11-20-19(21)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3
InChIKeyPPWBUSNOASRXSH-UHFFFAOYSA-N
XLogP3.04
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The IUPAC name of 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole (CID 5297453) is 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The canonical SMILES for 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole is CCOc1ccc(S(=O)(=O)N2CCN=C2Cc2ccccc2)cc1C.
What is the InChIKey of 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole?
The InChIKey is PPWBUSNOASRXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-24-18-10-9-17(13-15(18)2)25(22,23)21-12-11-20-19(21)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3.
What are the key properties of 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole?
2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole has a molecular weight of 358.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(4-ethoxy-3-methylphenyl)sulfonyl-4,5-dihydroimidazole is sourced from PubChem (CID 5297453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).