2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole

C20H23N3O2S — CID 90505895

IUPAC2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)15-8-10-16(11-9-15)26(24,25)23-12-14(13-23)19-21-17-6-4-5-7-18(17)22-19/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyHUNVVBQDXCGSBN-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.65
Rot. Bonds3

About 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole

2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole (PubChem CID 90505895) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
PubChem CID90505895
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1
InChIInChI=1S/C20H23N3O2S/c1-20(2,3)15-8-10-16(11-9-15)26(24,25)23-12-14(13-23)19-21-17-6-4-5-7-18(17)22-19/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyHUNVVBQDXCGSBN-UHFFFAOYSA-N
XLogP3.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole 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

2-[1-[4-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505893
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
2-[1-(2,5-difluorophenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505896
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90505755
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole (CID 90505895) is 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole is CC(C)(C)c1ccc(S(=O)(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
The InChIKey is HUNVVBQDXCGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-20(2,3)15-8-10-16(11-9-15)26(24,25)23-12-14(13-23)19-21-17-6-4-5-7-18(17)22-19/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole?
2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole has a molecular weight of 369.49 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 90505895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).