4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide

C21H20F2N4O3S — CID 110092664

IUPAC4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O3S/c22-15-3-1-13(2-4-15)18-19(20(24)28)26-21(25-18)14-9-11-27(12-10-14)31(29,30)17-7-5-16(23)6-8-17/h1-8,14H,9-12H2,(H2,24,28)(H,25,26)
InChIKeyGGOPTMLBJDFVII-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.02
Rot. Bonds5

About 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide

4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide (PubChem CID 110092664) has the molecular formula C21H20F2N4O3S and a molecular weight of 446.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
PubChem CID110092664
Molecular FormulaC21H20F2N4O3S
Molecular Weight446.48 g/mol
Exact Mass446.12
IUPAC Name4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide
SMILESNC(=O)c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C21H20F2N4O3S/c22-15-3-1-13(2-4-15)18-19(20(24)28)26-21(25-18)14-9-11-27(12-10-14)31(29,30)17-7-5-16(23)6-8-17/h1-8,14H,9-12H2,(H2,24,28)(H,25,26)
InChIKeyGGOPTMLBJDFVII-UHFFFAOYSA-N
XLogP3.02
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-7H-purine-2,6-diamine
CID 22563748
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-benzimidazole-4-carboxamide
CID 25190740
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
3-benzyl-5-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135470105
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902800
2-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-4-(4-fluorophenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 110092685
(2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanamide
CID 8747111
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
CID 95844720
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9189176

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide (CID 110092664) is 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide is NC(=O)c1[nH]c(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide?
The InChIKey is GGOPTMLBJDFVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3S/c22-15-3-1-13(2-4-15)18-19(20(24)28)26-21(25-18)14-9-11-27(12-10-14)31(29,30)17-7-5-16(23)6-8-17/h1-8,14H,9-12H2,(H2,24,28)(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide?
4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).