1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C22H21F3N4O3S — CID 53136007

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C22H21F3N4O3S/c23-22(24,25)16-5-4-6-17(13-16)27-21(30)20-14-28(15-26-20)18-7-9-19(10-8-18)33(31,32)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,27,30)
InChIKeyZJZBSCLJAXSZDF-UHFFFAOYSA-N
MW478.50 g/mol
LogP4.32
Rot. Bonds5

About 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 53136007) has the molecular formula C22H21F3N4O3S and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID53136007
Molecular FormulaC22H21F3N4O3S
Molecular Weight478.50 g/mol
Exact Mass478.13
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1
InChIInChI=1S/C22H21F3N4O3S/c23-22(24,25)16-5-4-6-17(13-16)27-21(30)20-14-28(15-26-20)18-7-9-19(10-8-18)33(31,32)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,27,30)
InChIKeyZJZBSCLJAXSZDF-UHFFFAOYSA-N
XLogP4.32
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136011
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136016
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 53064004
4-methyl-3-piperidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4798285
2-(azepan-1-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 151302120
1-(4-morpholin-4-ylsulfonylphenyl)-N-(4-propan-2-ylphenyl)imidazole-4-carboxamide
CID 53136053
N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 142342388
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
2-methyl-5-piperidin-1-ylsulfonyl-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343487
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)imidazole-4-carboxamide
CID 53136025
5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 53136007) is 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is ZJZBSCLJAXSZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3S/c23-22(24,25)16-5-4-6-17(13-16)27-21(30)20-14-28(15-26-20)18-7-9-19(10-8-18)33(31,32)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,27,30).
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 478.50 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 53136007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).