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

C18H22N2O4 — CID 165425849

IUPAC(3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCOc1cc(C)c(-c2nccn2[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1C
InChIInChI=1S/C18H22N2O4/c1-10-7-15(22-3)11(2)6-12(10)18-19-4-5-20(18)13-8-23-17-14(21)9-24-16(13)17/h4-7,13-14,16-17,21H,8-9H2,1-3H3/t13-,14-,16-,17-/m1/s1
InChIKeyIEKWQJMSALUCJT-MUIFIZLQSA-N
MW330.38 g/mol
LogP1.88
Rot. Bonds3

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

(3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (PubChem CID 165425849) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
PubChem CID165425849
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
SMILESCOc1cc(C)c(-c2nccn2[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1C
InChIInChI=1S/C18H22N2O4/c1-10-7-15(22-3)11(2)6-12(10)18-19-4-5-20(18)13-8-23-17-14(21)9-24-16(13)17/h4-7,13-14,16-17,21H,8-9H2,1-3H3/t13-,14-,16-,17-/m1/s1
InChIKeyIEKWQJMSALUCJT-MUIFIZLQSA-N
XLogP1.88
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)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

Related Compounds

(3R,3aR,6R,6aR)-3-[2-[3-methoxy-4-(2-methylpropoxy)phenyl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165419054
(3S,3aR,6R,6aR)-3-[2-(3,4-dichlorophenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165419975
(3S,3aR,6R,6aR)-3-[2-(3,5-dimethyl-1-benzofuran-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165417763
(3R,3aR,6R,6aR)-3-[2-(1-benzothiophen-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165426027
(3S,3aR,6R,6aR)-3-[2-(4-pyridin-2-ylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165421664
(3S,3aR,6R,6aR)-3-[2-(1-ethylindol-5-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165426946
(3S,3aR,6R,6aR)-3-[2-(2H-pyrazolo[3,4-b]pyridin-3-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 166612280
(3R,3aR,6R,6aR)-3-[2-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;formic acid
CID 166598465
2-[[5-[1-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]imidazol-2-yl]pyrimidin-2-yl]-methylamino]acetic acid
CID 165418517
(3S,3aR,6R,6aR)-3-[2-[3-(2-piperidin-1-ylethoxy)phenyl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165421507
(3S,3aR,6R,6aR)-3-[2-[2-(benzylamino)pyrimidin-5-yl]imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 165417753
(3S,3aR,6R,6aR)-3-[2-(8-fluoroquinolin-2-yl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;formic acid
CID 166598620

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The IUPAC name of (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol (CID 165425849) is (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is COc1cc(C)c(-c2nccn2[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)cc1C.
What is the InChIKey of (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
The InChIKey is IEKWQJMSALUCJT-MUIFIZLQSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-10-7-15(22-3)11(2)6-12(10)18-19-4-5-20(18)13-8-23-17-14(21)9-24-16(13)17/h4-7,13-14,16-17,21H,8-9H2,1-3H3/t13-,14-,16-,17-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol?
(3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol has a molecular weight of 330.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3-[2-(4-methoxy-2,5-dimethylphenyl)imidazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol is sourced from PubChem (CID 165425849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).