potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

C18H22KN3O3S — CID 173145234

IUPACpotassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
SMILESCOCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.[H-].[K+]
InChIInChI=1S/C18H21N3O3S.K.H/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);;/q;+1;-1
InChIKeyRKGZUCDAEYSTHE-UHFFFAOYSA-N
MW399.56 g/mol
LogP0.11
Rot. Bonds8

About potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole

potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (PubChem CID 173145234) has the molecular formula C18H22KN3O3S and a molecular weight of 399.56 g/mol. Its IUPAC name is potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Namepotassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
PubChem CID173145234
Molecular FormulaC18H22KN3O3S
Molecular Weight399.56 g/mol
Exact Mass399.10
IUPAC Namepotassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
SMILESCOCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.[H-].[K+]
InChIInChI=1S/C18H21N3O3S.K.H/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);;/q;+1;-1
InChIKeyRKGZUCDAEYSTHE-UHFFFAOYSA-N
XLogP0.11
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 50.11
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

disodium;hydride;2-[(S)-[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 173085886
2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 5029
C18H21N3NaO3S
CID 131849629
CID 67620713
CID 67620713
CID 131708971
CID 131708971
[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxymethanol
CID 154535970
sodium;2-[[4-(2-butan-2-yloxyethoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;hydride
CID 173335838
2-[[4-[2-(2-chloroethoxy)ethoxy]-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 15166270
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
2-[(S)-[1-hydroxy-4-(3-methoxypropoxy)-3-methylpyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
CID 86340891
methanamine;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 142854195

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The IUPAC name of potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole (CID 173145234) is potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is COCCCOc1ccnc(CS(=O)c2nc3ccccc3[nH]2)c1C.[H-].[K+].
What is the InChIKey of potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
The InChIKey is RKGZUCDAEYSTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S.K.H/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18;;/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21);;/q;+1;-1.
What are the key properties of potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole?
potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole has a molecular weight of 399.56 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-[[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 173145234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).