1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C17H18N2O3S — CID 972069

IUPAC1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-22-15-8-10-16(11-9-15)23(20,21)19-13-12-18-17(19)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyTXXBNLCXGPAJLO-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.54
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 972069) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID972069
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O3S/c1-2-22-15-8-10-16(11-9-15)23(20,21)19-13-12-18-17(19)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyTXXBNLCXGPAJLO-UHFFFAOYSA-N
XLogP2.54
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 972069) is 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is CCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is TXXBNLCXGPAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-2-22-15-8-10-16(11-9-15)23(20,21)19-13-12-18-17(19)14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 330.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 972069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).