1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide

C24H25N3O3S2 — CID 44577069

IUPAC1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide
SMILESCCSc1nc2cc(S(=O)(=O)NCc3ccccc3OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-3-31-24-26-21-15-20(13-14-22(21)27(24)17-18-9-5-4-6-10-18)32(28,29)25-16-19-11-7-8-12-23(19)30-2/h4-15,25H,3,16-17H2,1-2H3
InChIKeyBJSLQLIMUNKZIO-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.68
Rot. Bonds9

About 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide

1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide (PubChem CID 44577069) has the molecular formula C24H25N3O3S2 and a molecular weight of 467.62 g/mol. Its IUPAC name is 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide
PubChem CID44577069
Molecular FormulaC24H25N3O3S2
Molecular Weight467.62 g/mol
Exact Mass467.13
IUPAC Name1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide
SMILESCCSc1nc2cc(S(=O)(=O)NCc3ccccc3OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H25N3O3S2/c1-3-31-24-26-21-15-20(13-14-22(21)27(24)17-18-9-5-4-6-10-18)32(28,29)25-16-19-11-7-8-12-23(19)30-2/h4-15,25H,3,16-17H2,1-2H3
InChIKeyBJSLQLIMUNKZIO-UHFFFAOYSA-N
XLogP4.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide?
The IUPAC name of 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide (CID 44577069) is 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide?
The canonical SMILES for 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide is CCSc1nc2cc(S(=O)(=O)NCc3ccccc3OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide?
The InChIKey is BJSLQLIMUNKZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S2/c1-3-31-24-26-21-15-20(13-14-22(21)27(24)17-18-9-5-4-6-10-18)32(28,29)25-16-19-11-7-8-12-23(19)30-2/h4-15,25H,3,16-17H2,1-2H3.
What are the key properties of 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide?
1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide has a molecular weight of 467.62 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethylsulfanyl-N-[(2-methoxyphenyl)methyl]benzimidazole-5-sulfonamide is sourced from PubChem (CID 44577069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).