2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole

C19H30N2O2S — CID 102384611

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole
SMILESCCCCCCCCC1CN=C(C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O2S/c1-4-5-6-7-8-9-10-18-15-20-17(3)21(18)24(22,23)19-13-11-16(2)12-14-19/h11-14,18H,4-10,15H2,1-3H3
InChIKeyFUPLWRKHBYGZLZ-UHFFFAOYSA-N
MW350.53 g/mol
LogP4.54
Rot. Bonds9

About 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole

2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole (PubChem CID 102384611) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole
PubChem CID102384611
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole
SMILESCCCCCCCCC1CN=C(C)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H30N2O2S/c1-4-5-6-7-8-9-10-18-15-20-17(3)21(18)24(22,23)19-13-11-16(2)12-14-19/h11-14,18H,4-10,15H2,1-3H3
InChIKeyFUPLWRKHBYGZLZ-UHFFFAOYSA-N
XLogP4.54
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-hexyl-1-(4-methylphenyl)sulfonylaziridine
CID 102355352
(2R)-1-(4-methylphenyl)sulfonyl-2-octylaziridine
CID 95240344
(2S)-4,5-bis(4-chlorophenyl)-2-heptyl-1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrole
CID 154714751
2-hexyl-4-methyl-1-(4-methylphenyl)sulfonyl-2H-pyrrol-5-one
CID 101156306
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
2-hexyl-1-(4-methylphenyl)sulfonylpiperazin-4-ium chloride
CID 11121973
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
(4R,5R)-1,3-bis-(4-methylphenyl)sulfonyl-4,5-dipropylimidazolidin-2-one
CID 162400217
(3R,5R)-2-(4-methylphenyl)sulfonyl-5-nonyl-1,2-oxazolidine-3-carboxylic acid
CID 72701317
(2R,3S,5S)-5-ethyl-3-iodo-1-(4-methylphenyl)sulfonyl-2-pentylpyrrolidine
CID 23244311
(2R)-2-hexyl-4-(4-methylphenyl)sulfonylmorpholine
CID 101366739
(2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-dipropylaziridine
CID 127259597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole (CID 102384611) is 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole is CCCCCCCCC1CN=C(C)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole?
The InChIKey is FUPLWRKHBYGZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-4-5-6-7-8-9-10-18-15-20-17(3)21(18)24(22,23)19-13-11-16(2)12-14-19/h11-14,18H,4-10,15H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole?
2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole has a molecular weight of 350.53 g/mol, XLogP of 4.54, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-5-octyl-4,5-dihydroimidazole is sourced from PubChem (CID 102384611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).