(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C14H14F2N2O4 — CID 139505054

IUPAC(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCc1c(F)cc2[nH]c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1F
InChIInChI=1S/C14H14F2N2O4/c1-5-6(15)2-7-11(10(5)16)18-14(17-7)22-9-4-21-12-8(19)3-20-13(9)12/h2,8-9,12-13,19H,3-4H2,1H3,(H,17,18)/t8-,9-,12-,13-/m1/s1
InChIKeyXZIXCPMXQCICMV-NRMKKVEVSA-N
MW312.27 g/mol
LogP1.06
Rot. Bonds2

About (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 139505054) has the molecular formula C14H14F2N2O4 and a molecular weight of 312.27 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID139505054
Molecular FormulaC14H14F2N2O4
Molecular Weight312.27 g/mol
Exact Mass312.09
IUPAC Name(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESCc1c(F)cc2[nH]c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1F
InChIInChI=1S/C14H14F2N2O4/c1-5-6(15)2-7-11(10(5)16)18-14(17-7)22-9-4-21-12-8(19)3-20-13(9)12/h2,8-9,12-13,19H,3-4H2,1H3,(H,17,18)/t8-,9-,12-,13-/m1/s1
InChIKeyXZIXCPMXQCICMV-NRMKKVEVSA-N
XLogP1.06
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-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

(3S,3aR,6S,6aR)-6-[[4,6-difluoro-5-(4-phenylphenyl)-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118285495
(3R,3aS,6S,6aS)-6-[(6-chloro-4-fluoro-5-iodo-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118285496
(3R,3aR,6R,6aR)-6-[[5-[4-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)phenyl]-4,6-difluoro-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118285572
4-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4,6-difluoro-1H-benzimidazol-5-yl]phenyl]-3-fluorobenzonitrile
CID 118285513
[4-[4-[4,6-difluoro-2-[(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-1H-benzimidazol-5-yl]phenyl]phenyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 123620469
(3R,3aR,6R,6aR)-6-[[5-[4-(4-cyclopropylsulfonylpiperazin-1-yl)phenyl]-4,6-difluoro-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118285564
2-[4-[2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-6-fluoro-1H-benzimidazol-5-yl]phenyl]benzene-1,3-diol
CID 118640066
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(4-chlorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 90067556
(3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-(2,3-difluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 118424616
(3R,6R)-6-[[6-chloro-5-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methoxy]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 144737655
2-[[(3R,3aR,6R,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-5-[(2,6-difluorophenyl)methylamino]-1H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 130391570
(3R,3aR,6R)-6-[[6-chloro-5-[[(1S)-1-(2,6-difluorophenyl)ethyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 145072573

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 139505054) is (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is Cc1c(F)cc2[nH]c(O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4O)nc2c1F.
What is the InChIKey of (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is XZIXCPMXQCICMV-NRMKKVEVSA-N. The full InChI is InChI=1S/C14H14F2N2O4/c1-5-6(15)2-7-11(10(5)16)18-14(17-7)22-9-4-21-12-8(19)3-20-13(9)12/h2,8-9,12-13,19H,3-4H2,1H3,(H,17,18)/t8-,9-,12-,13-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 312.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-[(4,6-difluoro-5-methyl-1H-benzimidazol-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 139505054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).