sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole

C18H19F3N3NaO3S — CID 173309556

IUPACsodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOCCOc1ccnc(CS(=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C.[H-].[Na+]
InChIInChI=1S/C18H18F3N3O3S.Na.H/c1-11-15(22-6-5-16(11)27-8-7-26-2)10-28(25)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17;;/h3-6,9H,7-8,10H2,1-2H3,(H,23,24);;/q;+1;-1
InChIKeyMMJMSYKZBBIDJY-UHFFFAOYSA-N
MW437.42 g/mol
LogP0.73
Rot. Bonds7

About sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole

sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 173309556) has the molecular formula C18H19F3N3NaO3S and a molecular weight of 437.42 g/mol. Its IUPAC name is sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Namesodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID173309556
Molecular FormulaC18H19F3N3NaO3S
Molecular Weight437.42 g/mol
Exact Mass437.10
IUPAC Namesodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOCCOc1ccnc(CS(=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C.[H-].[Na+]
InChIInChI=1S/C18H18F3N3O3S.Na.H/c1-11-15(22-6-5-16(11)27-8-7-26-2)10-28(25)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17;;/h3-6,9H,7-8,10H2,1-2H3,(H,23,24);;/q;+1;-1
InChIKeyMMJMSYKZBBIDJY-UHFFFAOYSA-N
XLogP0.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 67620713
CID 67620713
disodium;hydride;2-[(S)-[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 173085886
potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 173145234
2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 5029
C18H21N3NaO3S
CID 131849629
sodium;2-[[4-(2-butan-2-yloxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydride
CID 173335838
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydrate
CID 19598444
bis(2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole);sulfane
CID 87220564
methanamine;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 142854195
1-[2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3-methyl-4-pyridinyl]oxy]ethyl]pyrrole-2,5-diol
CID 54356492
potassium;hydrogen carbonate;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 71474489
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;1H-pyrrole
CID 141271129

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 173309556) is sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole is COCCOc1ccnc(CS(=O)c2nc3ccc(C(F)(F)F)cc3[nH]2)c1C.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is MMJMSYKZBBIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S.Na.H/c1-11-15(22-6-5-16(11)27-8-7-26-2)10-28(25)17-23-13-4-3-12(18(19,20)21)9-14(13)24-17;;/h3-6,9H,7-8,10H2,1-2H3,(H,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole?
sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 437.42 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[[4-(2-methoxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 173309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).