1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole

C20H25N3O3S — CID 14894187

IUPAC1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCCOC(C)n1c(S(=O)Cc2ncc(C)c(OC)c2C)nc2ccccc21
InChIInChI=1S/C20H25N3O3S/c1-6-26-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)12-17-14(3)19(25-5)13(2)11-21-17/h7-11,15H,6,12H2,1-5H3
InChIKeyAUTHKZLYTZFVJC-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.92
Rot. Bonds7

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

1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole (PubChem CID 14894187) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
PubChem CID14894187
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCCOC(C)n1c(S(=O)Cc2ncc(C)c(OC)c2C)nc2ccccc21
InChIInChI=1S/C20H25N3O3S/c1-6-26-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)12-17-14(3)19(25-5)13(2)11-21-17/h7-11,15H,6,12H2,1-5H3
InChIKeyAUTHKZLYTZFVJC-UHFFFAOYSA-N
XLogP3.92
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The IUPAC name of 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole (CID 14894187) is 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The canonical SMILES for 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole is CCOC(C)n1c(S(=O)Cc2ncc(C)c(OC)c2C)nc2ccccc21.
What is the InChIKey of 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The InChIKey is AUTHKZLYTZFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-6-26-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)12-17-14(3)19(25-5)13(2)11-21-17/h7-11,15H,6,12H2,1-5H3.
What are the key properties of 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole?
1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole has a molecular weight of 387.51 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethyl)-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole is sourced from PubChem (CID 14894187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).