2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

C18H19N3O3S — CID 51278456

IUPAC2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccccc1S(=O)(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O3S/c1-24-16-10-4-5-11-17(16)25(22,23)21-12-6-9-15(21)18-19-13-7-2-3-8-14(13)20-18/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,19,20)
InChIKeyRAVJMSJTSWPFOK-UHFFFAOYSA-N
MW357.44 g/mol
LogP3.10
Rot. Bonds4

About 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole

2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 51278456) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
PubChem CID51278456
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
SMILESCOc1ccccc1S(=O)(=O)N1CCCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O3S/c1-24-16-10-4-5-11-17(16)25(22,23)21-12-6-9-15(21)18-19-13-7-2-3-8-14(13)20-18/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,19,20)
InChIKeyRAVJMSJTSWPFOK-UHFFFAOYSA-N
XLogP3.10
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-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-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 40920974
2-[1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 55681666
2-[1-(2-methoxyphenyl)sulfonylpiperidin-2-yl]-1,3-benzothiazole
CID 51249614
2-[1-(4-pyrimidin-5-ylphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 171916398
2-[(2S)-1-pyridin-3-ylsulfonylpiperidin-2-yl]-1H-benzimidazole
CID 95828932
2-[(2S)-1-[(2S)-2-methylbutyl]sulfonylpyrrolidin-2-yl]-1H-benzimidazole
CID 129424088
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 40920952
propyl 4-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]sulfonylbenzoate
CID 86886087
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
3-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 124754771
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole (CID 51278456) is 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole is COc1ccccc1S(=O)(=O)N1CCCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is RAVJMSJTSWPFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-24-16-10-4-5-11-17(16)25(22,23)21-12-6-9-15(21)18-19-13-7-2-3-8-14(13)20-18/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H,19,20).
What are the key properties of 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole?
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 357.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 51278456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).