sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride

C20H23FN3NaO4S — CID 173017449

IUPACsodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride
SMILESCc1c(OCC2COC(C)(C)O2)ccnc1CS(=O)c1nc2ccc(F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C20H22FN3O4S.Na.H/c1-12-17(11-29(25)19-23-15-5-4-13(21)8-16(15)24-19)22-7-6-18(12)26-9-14-10-27-20(2,3)28-14;;/h4-8,14H,9-11H2,1-3H3,(H,23,24);;/q;+1;-1
InChIKeyQFWVKSBPKBQCMK-UHFFFAOYSA-N
MW443.48 g/mol
LogP0.36
Rot. Bonds6

About sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride

sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride (PubChem CID 173017449) has the molecular formula C20H23FN3NaO4S and a molecular weight of 443.48 g/mol. Its IUPAC name is sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride.

Molecular Properties

Compound Namesodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride
PubChem CID173017449
Molecular FormulaC20H23FN3NaO4S
Molecular Weight443.48 g/mol
Exact Mass443.13
IUPAC Namesodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride
SMILESCc1c(OCC2COC(C)(C)O2)ccnc1CS(=O)c1nc2ccc(F)cc2[nH]1.[H-].[Na+]
InChIInChI=1S/C20H22FN3O4S.Na.H/c1-12-17(11-29(25)19-23-15-5-4-13(21)8-16(15)24-19)22-7-6-18(12)26-9-14-10-27-20(2,3)28-14;;/h4-8,14H,9-11H2,1-3H3,(H,23,24);;/q;+1;-1
InChIKeyQFWVKSBPKBQCMK-UHFFFAOYSA-N
XLogP0.36
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride 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

2-[[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-methyl-1H-benzimidazole
CID 59792413
sodium;2-[[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydride
CID 173017485
2-[[4-(1,4-dioxan-2-ylmethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 59792471
sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 173309556
2-[[3-methyl-4-[2-(1,4,8-trioxaspiro[4.5]decan-3-yl)ethoxy]-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 24882995
[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxymethanol
CID 154535970
2-(((4-((2-(Fluoromethyl)-1,3-dioxolan-2-yl)methoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-1h-benzimidazole sodium salt
CID 66776486
4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,3-dimethylpyridine
CID 91060133
sodium;2-[[4-[(1-ethyl-2,6,7-trioxabicyclo[2.2.2]octan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydride
CID 173017534
sodium;hydride;2-[[3-methyl-4-[2-(8-methyl-1,4,7,9-tetraoxaspiro[4.5]decan-8-yl)ethoxy]-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 173017431
2-(((4-(5,7-Dioxaspiro[2.5]oct-6-ylmethoxy)-3-methylpyridin-2-yl)methyl)sulfinyl)-6,7-dihydro-1h-[1,4]dioxino[2,3-f]benzimidazole sodium salt
CID 66776693
CID 143310474
CID 143310474

Frequently Asked Questions

What is the IUPAC name of sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride?
The IUPAC name of sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride (CID 173017449) is sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride.
What is the SMILES notation for sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride?
The canonical SMILES for sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride is Cc1c(OCC2COC(C)(C)O2)ccnc1CS(=O)c1nc2ccc(F)cc2[nH]1.[H-].[Na+].
What is the InChIKey of sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride?
The InChIKey is QFWVKSBPKBQCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S.Na.H/c1-12-17(11-29(25)19-23-15-5-4-13(21)8-16(15)24-19)22-7-6-18(12)26-9-14-10-27-20(2,3)28-14;;/h4-8,14H,9-11H2,1-3H3,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride?
sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride has a molecular weight of 443.48 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-6-fluoro-1H-benzimidazole;hydride is sourced from PubChem (CID 173017449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).