N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C21H20F3N3O2 — CID 153208348

IUPACN-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27/h2-9,11,13,15H,1,10,12,14H2,(H,26,28)
InChIKeyWLGXVJLCDCPPGX-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.19
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 153208348) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID153208348
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C21H20F3N3O2/c22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27/h2-9,11,13,15H,1,10,12,14H2,(H,26,28)
InChIKeyWLGXVJLCDCPPGX-UHFFFAOYSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
Azole, 11
CID 53348140
N-(3-imidazol-1-ylpropyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3807441
N-(3-Imidazol-1-yl-propyl)-3,5-dimethoxy-benzamide
CID 4098737
4-(hexyloxy)-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 4199636
2-(5-acetyl-2-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 9360204
2-ethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931168
1-[2-(4-Benzoylcarbamoylphenoxy)ethyl]imidazole
CID 13569201
N-[3-(1H-Imidazol-1-yl)propyl]-2-(4-methoxybenzamido)benzamide
CID 2883729
N-(3-Imidazol-1-yl-propyl)-4-methoxy-benzamide
CID 6603491
N-[(1Z)-1-(3,4-dimethoxyphenyl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 16427200
N-[3-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 24982094

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 153208348) is N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCCCn1ccnc1)c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is WLGXVJLCDCPPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c22-21(23,24)29-19-8-4-17(5-9-19)14-16-2-6-18(7-3-16)20(28)26-10-1-12-27-13-11-25-15-27/h2-9,11,13,15H,1,10,12,14H2,(H,26,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 153208348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).