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

C14H14F3N3O — CID 167113922

IUPAC3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1cnc[nH]1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-2-1-3-10(12)7-19-13(21)6-5-11-8-18-9-20-11/h1-4,8-9H,5-7H2,(H,18,20)(H,19,21)
InChIKeyHRGNWKNYEYSRJD-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.68
Rot. Bonds5

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

3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 167113922) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID167113922
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1cnc[nH]1)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c15-14(16,17)12-4-2-1-3-10(12)7-19-13(21)6-5-11-8-18-9-20-11/h1-4,8-9H,5-7H2,(H,18,20)(H,19,21)
InChIKeyHRGNWKNYEYSRJD-UHFFFAOYSA-N
XLogP2.68
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 112532409
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]propanamide
CID 146440123
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid
CID 115580456
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
N-(1H-imidazol-5-ylmethyl)-2-methoxy-2-[2-(trifluoromethyl)phenyl]acetamide
CID 136563984
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 167113922) is 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1cnc[nH]1)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is HRGNWKNYEYSRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c15-14(16,17)12-4-2-1-3-10(12)7-19-13(21)6-5-11-8-18-9-20-11/h1-4,8-9H,5-7H2,(H,18,20)(H,19,21).
What are the key properties of 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 297.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 167113922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).