5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole

C18H17F2N3O2S — CID 1462299

IUPAC5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(n2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C18H17F2N3O2S/c19-13-1-4-16(5-2-13)26(24,25)22-9-7-15(8-10-22)23-12-21-17-11-14(20)3-6-18(17)23/h1-6,11-12,15H,7-10H2
InChIKeyHYTDOQUCAJNLCU-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.34
Rot. Bonds3

About 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole

5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole (PubChem CID 1462299) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
PubChem CID1462299
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(n2cnc3cc(F)ccc32)CC1
InChIInChI=1S/C18H17F2N3O2S/c19-13-1-4-16(5-2-13)26(24,25)22-9-7-15(8-10-22)23-12-21-17-11-14(20)3-6-18(17)23/h1-6,11-12,15H,7-10H2
InChIKeyHYTDOQUCAJNLCU-UHFFFAOYSA-N
XLogP3.34
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 43814471
7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113862
N-cyclopropyl-4-[4-(5-fluorobenzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 1469837
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-phenylpiperazine
CID 1333953
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
[1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]indol-4-yl]oxymethyl formate
CID 88573937
7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113812
4-(5-fluorobenzimidazol-1-yl)-N-phenylpiperidine-1-carbothioamide
CID 1462301
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
CID 1469808

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The IUPAC name of 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole (CID 1462299) is 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole.
What is the SMILES notation for 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The canonical SMILES for 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole is O=S(=O)(c1ccc(F)cc1)N1CCC(n2cnc3cc(F)ccc32)CC1.
What is the InChIKey of 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
The InChIKey is HYTDOQUCAJNLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-13-1-4-16(5-2-13)26(24,25)22-9-7-15(8-10-22)23-12-21-17-11-14(20)3-6-18(17)23/h1-6,11-12,15H,7-10H2.
What are the key properties of 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole?
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole has a molecular weight of 377.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole is sourced from PubChem (CID 1462299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).