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

C16H18F3N3O — CID 99934795

IUPACN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ncc(C)[nH]1
InChIInChI=1S/C16H18F3N3O/c1-3-13(15-20-9-10(2)21-15)22-14(23)8-11-5-4-6-12(7-11)16(17,18)19/h4-7,9,13H,3,8H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyGDFJKBPKCITNPY-CYBMUJFWSA-N
MW325.33 g/mol
LogP3.55
Rot. Bonds5

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

N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 99934795) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID99934795
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ncc(C)[nH]1
InChIInChI=1S/C16H18F3N3O/c1-3-13(15-20-9-10(2)21-15)22-14(23)8-11-5-4-6-12(7-11)16(17,18)19/h4-7,9,13H,3,8H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1
InChIKeyGDFJKBPKCITNPY-CYBMUJFWSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 99971868
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]butanoic acid
CID 43238852
N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 97152669
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
1-(2-fluoro-3-pyridinyl)-3-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]urea
CID 97455583
N-[3-(hydroxymethyl)pentan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 62520655
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122302066

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 99934795) is N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1ncc(C)[nH]1.
What is the InChIKey of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GDFJKBPKCITNPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-3-13(15-20-9-10(2)21-15)22-14(23)8-11-5-4-6-12(7-11)16(17,18)19/h4-7,9,13H,3,8H2,1-2H3,(H,20,21)(H,22,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 325.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 99934795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).