4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide

C11H16F3N3O2 — CID 135108638

IUPAC4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
SMILESCc1ncc(CN(CCO)C(=O)CCC(F)(F)F)[nH]1
InChIInChI=1S/C11H16F3N3O2/c1-8-15-6-9(16-8)7-17(4-5-18)10(19)2-3-11(12,13)14/h6,18H,2-5,7H2,1H3,(H,15,16)
InChIKeyFXUXMUMCMSISSB-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.38
Rot. Bonds6

About 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide

4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide (PubChem CID 135108638) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
PubChem CID135108638
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide
SMILESCc1ncc(CN(CCO)C(=O)CCC(F)(F)F)[nH]1
InChIInChI=1S/C11H16F3N3O2/c1-8-15-6-9(16-8)7-17(4-5-18)10(19)2-3-11(12,13)14/h6,18H,2-5,7H2,1H3,(H,15,16)
InChIKeyFXUXMUMCMSISSB-UHFFFAOYSA-N
XLogP1.38
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide (CID 135108638) is 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide is Cc1ncc(CN(CCO)C(=O)CCC(F)(F)F)[nH]1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide?
The InChIKey is FXUXMUMCMSISSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-8-15-6-9(16-8)7-17(4-5-18)10(19)2-3-11(12,13)14/h6,18H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide?
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide has a molecular weight of 279.26 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide is sourced from PubChem (CID 135108638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).