1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole

C20H25N3O2S2 — CID 14877919

IUPAC1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCCOC(C)n1c(S(=O)Cc2nccc(SCC)c2C)nc2ccccc21
InChIInChI=1S/C20H25N3O2S2/c1-5-25-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)13-17-14(3)19(26-6-2)11-12-21-17/h7-12,15H,5-6,13H2,1-4H3
InChIKeyVYXDDSWGPLBVOZ-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.71
Rot. Bonds8

About 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole

1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole (PubChem CID 14877919) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole.

Molecular Properties

Compound Name1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole
PubChem CID14877919
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC Name1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole
SMILESCCOC(C)n1c(S(=O)Cc2nccc(SCC)c2C)nc2ccccc21
InChIInChI=1S/C20H25N3O2S2/c1-5-25-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)13-17-14(3)19(26-6-2)11-12-21-17/h7-12,15H,5-6,13H2,1-4H3
InChIKeyVYXDDSWGPLBVOZ-UHFFFAOYSA-N
XLogP4.71
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.71
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-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The IUPAC name of 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole (CID 14877919) is 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole.
What is the SMILES notation for 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The canonical SMILES for 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole is CCOC(C)n1c(S(=O)Cc2nccc(SCC)c2C)nc2ccccc21.
What is the InChIKey of 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole?
The InChIKey is VYXDDSWGPLBVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-5-25-15(4)23-18-10-8-7-9-16(18)22-20(23)27(24)13-17-14(3)19(26-6-2)11-12-21-17/h7-12,15H,5-6,13H2,1-4H3.
What are the key properties of 1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole?
1-(1-ethoxyethyl)-2-[(4-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole has a molecular weight of 403.57 g/mol, XLogP of 4.71, 8 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-ethylsulfanyl-3-methyl-2-pyridinyl)methylsulfinyl]benzimidazole is sourced from PubChem (CID 14877919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).