1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C19H22N2O3S — CID 1242020

IUPAC1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1C
InChIInChI=1S/C19H22N2O3S/c1-4-24-17-10-11-18(15(3)14(17)2)25(22,23)21-13-12-20-19(21)16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3
InChIKeyNSVREEGCLSCFMN-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 1242020) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID1242020
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1C
InChIInChI=1S/C19H22N2O3S/c1-4-24-17-10-11-18(15(3)14(17)2)25(22,23)21-13-12-20-19(21)16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3
InChIKeyNSVREEGCLSCFMN-UHFFFAOYSA-N
XLogP3.15
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 1242020) is 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is CCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1C.
What is the InChIKey of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is NSVREEGCLSCFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-24-17-10-11-18(15(3)14(17)2)25(22,23)21-13-12-20-19(21)16-8-6-5-7-9-16/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 358.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 1242020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).