N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide

C24H23F7N4O — CID 15294914

IUPACN-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide
SMILESCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1NC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H23F7N4O/c1-34-19(15-5-9-17(25)10-6-15)33-22(23(26,27)28,24(29,30)31)21(34)32-20(36)16-7-11-18(12-8-16)35-13-3-2-4-14-35/h5-12,21H,2-4,13-14H2,1H3,(H,32,36)
InChIKeyIPLOEYFZYHOVNZ-UHFFFAOYSA-N
MW516.46 g/mol
LogP5.13
Rot. Bonds4

About N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide

N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide (PubChem CID 15294914) has the molecular formula C24H23F7N4O and a molecular weight of 516.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide
PubChem CID15294914
Molecular FormulaC24H23F7N4O
Molecular Weight516.46 g/mol
Exact Mass516.18
IUPAC NameN-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide
SMILESCN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1NC(=O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H23F7N4O/c1-34-19(15-5-9-17(25)10-6-15)33-22(23(26,27)28,24(29,30)31)21(34)32-20(36)16-7-11-18(12-8-16)35-13-3-2-4-14-35/h5-12,21H,2-4,13-14H2,1H3,(H,32,36)
InChIKeyIPLOEYFZYHOVNZ-UHFFFAOYSA-N
XLogP5.13
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide (CID 15294914) is N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide is CN1C(c2ccc(F)cc2)=NC(C(F)(F)F)(C(F)(F)F)C1NC(=O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is IPLOEYFZYHOVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F7N4O/c1-34-19(15-5-9-17(25)10-6-15)33-22(23(26,27)28,24(29,30)31)21(34)32-20(36)16-7-11-18(12-8-16)35-13-3-2-4-14-35/h5-12,21H,2-4,13-14H2,1H3,(H,32,36).
What are the key properties of N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide?
N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 516.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 15294914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).