(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

C16H17FN2O3 — CID 165420410

IUPAC(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCc1cc(F)ccc1-c1nccn1[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C16H17FN2O3/c1-9-6-10(17)2-3-11(9)16-18-4-5-19(16)12-7-21-15-13(20)8-22-14(12)15/h2-6,12-15,20H,7-8H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyCWVHBXHYZILQIX-GBJTYRQASA-N
MW304.32 g/mol
LogP1.70
Rot. Bonds2

About (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 165420410) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID165420410
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCc1cc(F)ccc1-c1nccn1[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C16H17FN2O3/c1-9-6-10(17)2-3-11(9)16-18-4-5-19(16)12-7-21-15-13(20)8-22-14(12)15/h2-6,12-15,20H,7-8H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyCWVHBXHYZILQIX-GBJTYRQASA-N
XLogP1.70
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 165420410) is (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is Cc1cc(F)ccc1-c1nccn1[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is CWVHBXHYZILQIX-GBJTYRQASA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9-6-10(17)2-3-11(9)16-18-4-5-19(16)12-7-21-15-13(20)8-22-14(12)15/h2-6,12-15,20H,7-8H2,1H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 304.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-3-[2-(4-fluoro-2-methylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 165420410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).