3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide

C20H18F3N3O2 — CID 172505628

IUPAC3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(C(c2cnc[nH]2)c2cccc(C(F)(F)F)c2C)c1
InChIInChI=1S/C20H18F3N3O2/c1-12-15(7-4-8-16(12)20(21,22)23)18(17-10-24-11-25-17)13-5-3-6-14(9-13)19(27)26-28-2/h3-11,18H,1-2H3,(H,24,25)(H,26,27)
InChIKeyIGFRIYLWEQCPQX-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.21
Rot. Bonds5

About 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide

3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide (PubChem CID 172505628) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide.

Molecular Properties

Compound Name3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide
PubChem CID172505628
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide
SMILESCONC(=O)c1cccc(C(c2cnc[nH]2)c2cccc(C(F)(F)F)c2C)c1
InChIInChI=1S/C20H18F3N3O2/c1-12-15(7-4-8-16(12)20(21,22)23)18(17-10-24-11-25-17)13-5-3-6-14(9-13)19(27)26-28-2/h3-11,18H,1-2H3,(H,24,25)(H,26,27)
InChIKeyIGFRIYLWEQCPQX-UHFFFAOYSA-N
XLogP4.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-[3-[[2-hydroxy-3-(methoxycarbamoyl)phenyl]-(1H-imidazol-5-yl)methyl]-2-methylphenyl]-2-methylphenyl]-(1H-imidazol-5-yl)methyl]benzoic acid
CID 176560019
1-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]-3-methoxyurea
CID 172505495
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]phenyl]adamantane-2-carboxamide
CID 172505517
N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136563984
2-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-chloro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(2,3-dichlorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(2,3-difluorophenyl)-(1H-imidazol-5-yl)methyl]pyridine;2-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;4-[(3-fluoro-2-methylphenyl)-(1H-imidazol-5-yl)methyl]pyridine;3-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine;4-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1H-imidazol-5-yl)methyl]pyridine
CID 158499669
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-N-methoxynaphthalene-2-carboxamide
CID 18769145
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
N-[3-[(2,3-dimethylphenyl)-(1H-imidazol-5-yl)methyl]-2-fluorophenyl]methanesulfonamide
CID 176560035
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;formic acid
CID 155150082
[3-[(1S)-1-(1H-imidazol-5-yl)ethyl]-2-methylphenyl]methyl 3-methylbutanoate
CID 56942165
methyl 3-[(1S)-1-amino-2,2,2-trifluoroethyl]benzoate
CID 66511365

Frequently Asked Questions

What is the IUPAC name of 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide?
The IUPAC name of 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide (CID 172505628) is 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide.
What is the SMILES notation for 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide?
The canonical SMILES for 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide is CONC(=O)c1cccc(C(c2cnc[nH]2)c2cccc(C(F)(F)F)c2C)c1.
What is the InChIKey of 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide?
The InChIKey is IGFRIYLWEQCPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12-15(7-4-8-16(12)20(21,22)23)18(17-10-24-11-25-17)13-5-3-6-14(9-13)19(27)26-28-2/h3-11,18H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide?
3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide has a molecular weight of 389.38 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-imidazol-5-yl-[2-methyl-3-(trifluoromethyl)phenyl]methyl]-N-methoxybenzamide is sourced from PubChem (CID 172505628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).