6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole

C18H21N3O3S — CID 643281

IUPAC6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1
InChIInChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-7-6-13(23-4)8-16(14)21(18)3/h6-9H,10H2,1-5H3
InChIKeyWNUVTRNLJLQRDR-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.91
Rot. Bonds5

About 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole

6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole (PubChem CID 643281) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
PubChem CID643281
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1
InChIInChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-7-6-13(23-4)8-16(14)21(18)3/h6-9H,10H2,1-5H3
InChIKeyWNUVTRNLJLQRDR-UHFFFAOYSA-N
XLogP2.91
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The IUPAC name of 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole (CID 643281) is 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole.
What is the SMILES notation for 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The canonical SMILES for 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole is COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C)c2c1.
What is the InChIKey of 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
The InChIKey is WNUVTRNLJLQRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11-9-19-15(12(2)17(11)24-5)10-25(22)18-20-14-7-6-13(23-4)8-16(14)21(18)3/h6-9H,10H2,1-5H3.
What are the key properties of 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole?
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole has a molecular weight of 359.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-methylbenzimidazole is sourced from PubChem (CID 643281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).