5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine

C17H20N4O3S — CID 68623258

IUPAC5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2N
InChIInChI=1S/C17H20N4O3S/c1-10-8-19-14(11(2)16(10)24-4)9-25(22)17-20-13-7-12(23-3)5-6-15(13)21(17)18/h5-8H,9,18H2,1-4H3
InChIKeyIJHLVJOAODKTGR-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.09
Rot. Bonds5

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

5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine (PubChem CID 68623258) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine.

Molecular Properties

Compound Name5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
PubChem CID68623258
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2N
InChIInChI=1S/C17H20N4O3S/c1-10-8-19-14(11(2)16(10)24-4)9-25(22)17-20-13-7-12(23-3)5-6-15(13)21(17)18/h5-8H,9,18H2,1-4H3
InChIKeyIJHLVJOAODKTGR-UHFFFAOYSA-N
XLogP2.09
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine?
The IUPAC name of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine (CID 68623258) is 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine.
What is the SMILES notation for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine?
The canonical SMILES for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine is COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2N.
What is the InChIKey of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine?
The InChIKey is IJHLVJOAODKTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10-8-19-14(11(2)16(10)24-4)9-25(22)17-20-13-7-12(23-3)5-6-15(13)21(17)18/h5-8H,9,18H2,1-4H3.
What are the key properties of 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine?
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine has a molecular weight of 360.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine is sourced from PubChem (CID 68623258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).