3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide

C11H14F3N3O2 — CID 56864215

IUPAC3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)C(O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8(18)9(19)16-5-10(1-2-10)6-17-4-3-15-7-17/h3-4,7-8,18H,1-2,5-6H2,(H,16,19)
InChIKeyNGLLSKXDBWBPMI-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.70
Rot. Bonds5

About 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide

3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide (PubChem CID 56864215) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide
PubChem CID56864215
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)C(O)C(F)(F)F
InChIInChI=1S/C11H14F3N3O2/c12-11(13,14)8(18)9(19)16-5-10(1-2-10)6-17-4-3-15-7-17/h3-4,7-8,18H,1-2,5-6H2,(H,16,19)
InChIKeyNGLLSKXDBWBPMI-UHFFFAOYSA-N
XLogP0.70
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2,4-dihydroxy-N-[3-(3-imidazol-1-ylpropylamino)-3-oxopropyl]-3,3-dimethylbutanamide
CID 90682454
2-hydroxy-N-{[1-(1H-imidazol-1-ylmethyl)cyclopropyl]methyl}-4-(methylthio)butanamide
CID 91777734
N-(3-(1h-imidazol-1-yl)propyl)-2-hydroxyacetamide
CID 24284842
1,1,1-trifluoro-3-{[3-(1H-imidazol-1-yl)propyl]amino}-2-propanol
CID 5153164
(2S)-1,1,1-trifluoro-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 40471134
(2R)-1,1,1-trifluoro-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 40471136
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide
CID 95455985
(2R)-3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide
CID 95455986
3-imidazol-1-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726458
N-(3,3-difluoro-2-hydroxypropyl)-3-imidazol-1-ylpropanamide
CID 103769934
N-(2,2-difluoro-3-hydroxypropyl)-3-imidazol-1-ylpropanamide
CID 104857161
1,1-Difluoro-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 105645133

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide (CID 56864215) is 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide is O=C(NCC1(Cn2ccnc2)CC1)C(O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide?
The InChIKey is NGLLSKXDBWBPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c12-11(13,14)8(18)9(19)16-5-10(1-2-10)6-17-4-3-15-7-17/h3-4,7-8,18H,1-2,5-6H2,(H,16,19).
What are the key properties of 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide?
3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide has a molecular weight of 277.25 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 56864215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).