N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide

C24H26F3N3O2 — CID 19422016

IUPACN-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C(O)(CCc2cnc[nH]2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H26F3N3O2/c1-22(2,3)30-21(31)16-4-6-17(7-5-16)23(32,13-12-20-14-28-15-29-20)18-8-10-19(11-9-18)24(25,26)27/h4-11,14-15,32H,12-13H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyPIGWGPLTWIOQPC-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.83
Rot. Bonds6

About N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide

N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide (PubChem CID 19422016) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide
PubChem CID19422016
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(C(O)(CCc2cnc[nH]2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C24H26F3N3O2/c1-22(2,3)30-21(31)16-4-6-17(7-5-16)23(32,13-12-20-14-28-15-29-20)18-8-10-19(11-9-18)24(25,26)27/h4-11,14-15,32H,12-13H2,1-3H3,(H,28,29)(H,30,31)
InChIKeyPIGWGPLTWIOQPC-UHFFFAOYSA-N
XLogP4.83
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The IUPAC name of N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide (CID 19422016) is N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide is CC(C)(C)NC(=O)c1ccc(C(O)(CCc2cnc[nH]2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide?
The InChIKey is PIGWGPLTWIOQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c1-22(2,3)30-21(31)16-4-6-17(7-5-16)23(32,13-12-20-14-28-15-29-20)18-8-10-19(11-9-18)24(25,26)27/h4-11,14-15,32H,12-13H2,1-3H3,(H,28,29)(H,30,31).
What are the key properties of N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide?
N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-hydroxy-3-(1H-imidazol-5-yl)-1-[4-(trifluoromethyl)phenyl]propyl]benzamide is sourced from PubChem (CID 19422016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).