1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole

C18H25N3O2S — CID 163351646

IUPAC1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(Cn3ccnc3C(C)C)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18-19-7-8-20(18)10-16-11-21(12-16)24(22,23)17-9-14(3)5-6-15(17)4/h5-9,13,16H,10-12H2,1-4H3
InChIKeyAWYQMFVNUUKDJO-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.94
Rot. Bonds5

About 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole

1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole (PubChem CID 163351646) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole
PubChem CID163351646
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole
SMILESCc1ccc(C)c(S(=O)(=O)N2CC(Cn3ccnc3C(C)C)C2)c1
InChIInChI=1S/C18H25N3O2S/c1-13(2)18-19-7-8-20(18)10-16-11-21(12-16)24(22,23)17-9-14(3)5-6-15(17)4/h5-9,13,16H,10-12H2,1-4H3
InChIKeyAWYQMFVNUUKDJO-UHFFFAOYSA-N
XLogP2.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(2,5-dimethoxyphenyl)sulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494347
3-(2-bromoethyl)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine
CID 114801823
1-cyclohexylsulfonyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494392
2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163350969
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
CID 163351656
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494589
[1-(2-chloro-5-methylphenyl)sulfonylazetidin-3-yl]methanol
CID 75510156
(1-methylsulfonylpiperidin-4-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724041

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole?
The IUPAC name of 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole (CID 163351646) is 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole?
The canonical SMILES for 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole is Cc1ccc(C)c(S(=O)(=O)N2CC(Cn3ccnc3C(C)C)C2)c1.
What is the InChIKey of 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole?
The InChIKey is AWYQMFVNUUKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13(2)18-19-7-8-20(18)10-16-11-21(12-16)24(22,23)17-9-14(3)5-6-15(17)4/h5-9,13,16H,10-12H2,1-4H3.
What are the key properties of 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole?
1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole has a molecular weight of 347.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,5-dimethylphenyl)sulfonylazetidin-3-yl]methyl]-2-propan-2-ylimidazole is sourced from PubChem (CID 163351646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).