N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide

C21H20F3N3O2 — CID 56509317

IUPACN-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20F3N3O2/c1-26(13-19-25-11-12-27(19)15-21(22,23)24)20(28)17-7-9-18(10-8-17)29-14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3
InChIKeyCTUMUMANGOVFDU-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.30
Rot. Bonds7

About N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide

N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide (PubChem CID 56509317) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
PubChem CID56509317
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
SMILESCN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H20F3N3O2/c1-26(13-19-25-11-12-27(19)15-21(22,23)24)20(28)17-7-9-18(10-8-17)29-14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3
InChIKeyCTUMUMANGOVFDU-UHFFFAOYSA-N
XLogP4.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]carbamoyl]phenoxy]benzamide
CID 56551219
N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 56521672
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509566
5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
CID 56509575
N-methyl-N-(1-methylimidazol-2-yl)-4-phenylmethoxybenzamide
CID 154801364
[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 3-methoxy-4-phenylmethoxybenzoate
CID 86885631
2-(3-bromophenoxy)-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56508797
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide
CID 56510165
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-phenylmethoxybenzamide
CID 9392276
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
4-[(4-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452193

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide (CID 56509317) is N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide is CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide?
The InChIKey is CTUMUMANGOVFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-26(13-19-25-11-12-27(19)15-21(22,23)24)20(28)17-7-9-18(10-8-17)29-14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3.
What are the key properties of N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide?
N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 56509317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).