1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

C20H24N2O3S — CID 35203154

IUPAC1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-3-4-14-25-19-11-10-18(15-16(19)2)26(23,24)22-13-12-21-20(22)17-8-6-5-7-9-17/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyOHODWFFQQNYIPV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.63
Rot. Bonds7

About 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole

1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (PubChem CID 35203154) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
PubChem CID35203154
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
SMILESCCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
InChIInChI=1S/C20H24N2O3S/c1-3-4-14-25-19-11-10-18(15-16(19)2)26(23,24)22-13-12-21-20(22)17-8-6-5-7-9-17/h5-11,15H,3-4,12-14H2,1-2H3
InChIKeyOHODWFFQQNYIPV-UHFFFAOYSA-N
XLogP3.63
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
1-(2,5-dimethoxy-4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 15942901
1-(4-heptoxy-3-methylphenyl)sulfonylpiperidine
CID 43845535
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)piperazine
CID 100671557
1-(4-heptoxy-3-methylphenyl)sulfonylbenzotriazole
CID 71671436
1-(3-methyl-4-pentoxyphenyl)sulfonylbenzimidazole
CID 35201738
4-hexoxy-3-methylbenzenesulfonic acid
CID 87682084
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3,4-dichlorophenyl)piperazine
CID 91670225
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(3-chloro-4-methylphenyl)piperazine
CID 91669896
1-(4-butoxy-3-methylphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 35203146

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The IUPAC name of 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole (CID 35203154) is 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is CCCCOc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C.
What is the InChIKey of 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
The InChIKey is OHODWFFQQNYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-4-14-25-19-11-10-18(15-16(19)2)26(23,24)22-13-12-21-20(22)17-8-6-5-7-9-17/h5-11,15H,3-4,12-14H2,1-2H3.
What are the key properties of 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole?
1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole has a molecular weight of 372.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxy-3-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole is sourced from PubChem (CID 35203154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).