(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol

C13H15F2N3O — CID 10659450

IUPAC(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
SMILESC[C@@H](N)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-9(16)13(19,7-18-5-4-17-8-18)11-3-2-10(14)6-12(11)15/h2-6,8-9,19H,7,16H2,1H3/t9-,13-/m1/s1
InChIKeyQPUGAYKMEBYFBH-NOZJJQNGSA-N
MW267.28 g/mol
LogP1.40
Rot. Bonds4

About (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol

(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol (PubChem CID 10659450) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
PubChem CID10659450
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
SMILESC[C@@H](N)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F2N3O/c1-9(16)13(19,7-18-5-4-17-8-18)11-3-2-10(14)6-12(11)15/h2-6,8-9,19H,7,16H2,1H3/t9-,13-/m1/s1
InChIKeyQPUGAYKMEBYFBH-NOZJJQNGSA-N
XLogP1.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol
CID 67853018
2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 10447794
(2R,3S)-2-(2,4-difluorophenyl)-3-(4-imidazol-1-ylphenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 57053878
2-(4-cyanophenyl)-N-[3-(2,4-difluorophenyl)-3-hydroxy-4-imidazol-1-ylbutan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 67557317
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-3-ylphenyl)ethanol
CID 14988711
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R)-2-(2,4-difluorophenyl)-3-(5-imidazol-1-yl-2-pyridinyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 70311895
(3R)-2-(2,4-difluorophenyl)-3-(4,4-dimethylpiperidin-1-yl)-1-(1,2,4-triazol-4-yl)butan-2-ol
CID 139520120
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875
1-[2-(2-chlorophenyl)oxiran-2-yl]-1-(2,4-difluorophenyl)-2-imidazol-1-ylethanol
CID 19913066
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The IUPAC name of (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol (CID 10659450) is (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol is C[C@@H](N)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
The InChIKey is QPUGAYKMEBYFBH-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-9(16)13(19,7-18-5-4-17-8-18)11-3-2-10(14)6-12(11)15/h2-6,8-9,19H,7,16H2,1H3/t9-,13-/m1/s1.
What are the key properties of (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol?
(2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol has a molecular weight of 267.28 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-2-(2,4-difluorophenyl)-1-imidazol-1-ylbutan-2-ol is sourced from PubChem (CID 10659450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).