1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole

C18H18FN3O2S — CID 23641500

IUPAC1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C18H18FN3O2S/c19-14-4-3-5-16(12-14)25(23,24)21-10-8-15(9-11-21)22-13-20-17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2
InChIKeyFNAMAAXNVGZAKH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.20
Rot. Bonds3

About 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole

1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole (PubChem CID 23641500) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
PubChem CID23641500
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C18H18FN3O2S/c19-14-4-3-5-16(12-14)25(23,24)21-10-8-15(9-11-21)22-13-20-17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2
InChIKeyFNAMAAXNVGZAKH-UHFFFAOYSA-N
XLogP3.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]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

5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905089
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444
1-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]benzimidazole
CID 121193881
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 146079251
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
1-ethyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]benzimidazole
CID 1462239
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The IUPAC name of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole (CID 23641500) is 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole.
What is the SMILES notation for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The canonical SMILES for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole is O=S(=O)(c1cccc(F)c1)N1CCC(n2cnc3ccccc32)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The InChIKey is FNAMAAXNVGZAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-4-3-5-16(12-14)25(23,24)21-10-8-15(9-11-21)22-13-20-17-6-1-2-7-18(17)22/h1-7,12-13,15H,8-11H2.
What are the key properties of 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole has a molecular weight of 359.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole is sourced from PubChem (CID 23641500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).