4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide

C14H18F3N5O2 — CID 56819567

IUPAC4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide
SMILESCC(Cn1ccnc1)NC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C14H18F3N5O2/c1-10(8-22-6-3-18-9-22)20-11(23)7-13(24,14(15,16)17)12-19-4-5-21(12)2/h3-6,9-10,24H,7-8H2,1-2H3,(H,20,23)
InChIKeyMAGYWJRGGKUCEP-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.96
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 56819567) has the molecular formula C14H18F3N5O2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide
PubChem CID56819567
Molecular FormulaC14H18F3N5O2
Molecular Weight345.33 g/mol
Exact Mass345.14
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide
SMILESCC(Cn1ccnc1)NC(=O)CC(O)(c1nccn1C)C(F)(F)F
InChIInChI=1S/C14H18F3N5O2/c1-10(8-22-6-3-18-9-22)20-11(23)7-13(24,14(15,16)17)12-19-4-5-21(12)2/h3-6,9-10,24H,7-8H2,1-2H3,(H,20,23)
InChIKeyMAGYWJRGGKUCEP-UHFFFAOYSA-N
XLogP0.96
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 134042884
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
N-(4,4-dimethylpentyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111439436
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 134042876
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 55924571
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(2-morpholin-4-ylpropyl)butanamide
CID 55636094
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 110901705
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111471518

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide (CID 56819567) is 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide is CC(Cn1ccnc1)NC(=O)CC(O)(c1nccn1C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is MAGYWJRGGKUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O2/c1-10(8-22-6-3-18-9-22)20-11(23)7-13(24,14(15,16)17)12-19-4-5-21(12)2/h3-6,9-10,24H,7-8H2,1-2H3,(H,20,23).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 345.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 56819567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).