2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

C19H21N3O3S — CID 16582832

IUPAC2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-25-15-6-8-16(9-7-15)26(23,24)22-12-10-14(11-13-22)19-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3,(H,20,21)
InChIKeyMWHFEHQKKVJJAA-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole

2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (PubChem CID 16582832) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
PubChem CID16582832
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C19H21N3O3S/c1-25-15-6-8-16(9-7-15)26(23,24)22-12-10-14(11-13-22)19-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3,(H,20,21)
InChIKeyMWHFEHQKKVJJAA-UHFFFAOYSA-N
XLogP3.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 4826074
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(4-Fluoro-2-methoxy-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 1106581
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
1-(4-Methoxyphenyl)sulfonylbenzimidazole;hydrochloride
CID 23724233
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 9825245
2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-sulfonic acid amide
CID 9925320
2-{[4-(2-methoxyphenyl)piperidin-1-yl]methyl}-1H-benzimidazole
CID 10268039
2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 11220975
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940068
N-(4-fluorophenyl)-1-(4-methoxyphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-amine
CID 50940069

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole (CID 16582832) is 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is COc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
The InChIKey is MWHFEHQKKVJJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-15-6-8-16(9-7-15)26(23,24)22-12-10-14(11-13-22)19-20-17-4-2-3-5-18(17)21-19/h2-9,14H,10-13H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole?
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole has a molecular weight of 371.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 16582832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).