N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide

C17H21F3N4O — CID 56510165

IUPACN,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C17H21F3N4O/c1-22(2)16(25)15(13-7-5-4-6-8-13)23(3)11-14-21-9-10-24(14)12-17(18,19)20/h4-10,15H,11-12H2,1-3H3
InChIKeyLGTNQAYIWGRIEQ-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.71
Rot. Bonds6

About N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide

N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide (PubChem CID 56510165) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide
PubChem CID56510165
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N(C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C17H21F3N4O/c1-22(2)16(25)15(13-7-5-4-6-8-13)23(3)11-14-21-9-10-24(14)12-17(18,19)20/h4-10,15H,11-12H2,1-3H3
InChIKeyLGTNQAYIWGRIEQ-UHFFFAOYSA-N
XLogP2.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-oxoethyl]benzamide
CID 56521672
N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56509317
2-[(3-fluorophenyl)methyl-methylamino]-N,N-dimethyl-2-phenylacetamide
CID 78815730
N-(2-methoxyphenyl)-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetamide
CID 56509258
2-(4-ethoxyphenyl)sulfanyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]acetamide
CID 56509566
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide
CID 56508865
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethyl-2-phenylacetamide
CID 8803612
(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97205674
(2R)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 97191747
6-amino-1-benzyl-3-methyl-5-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrimidine-2,4-dione
CID 56509256
N-[2,5-dimethyl-3-[2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]acetyl]pyrrol-1-yl]benzamide
CID 56527334
4-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]carbamoyl]phenoxy]benzamide
CID 56551219

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide (CID 56510165) is N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide is CN(C)C(=O)C(c1ccccc1)N(C)Cc1nccn1CC(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide?
The InChIKey is LGTNQAYIWGRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-22(2)16(25)15(13-7-5-4-6-8-13)23(3)11-14-21-9-10-24(14)12-17(18,19)20/h4-10,15H,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide?
N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide has a molecular weight of 354.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-2-phenylacetamide is sourced from PubChem (CID 56510165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).