2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate

C28H30N4O6S — CID 59769545

IUPAC2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2C(=O)N(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C28H30N4O6S/c1-18-16-29-24(19(2)26(18)37-5)17-39(35)27-30-23-15-22(36-4)11-12-25(23)32(27)28(34)31(13-14-38-20(3)33)21-9-7-6-8-10-21/h6-12,15-16H,13-14,17H2,1-5H3
InChIKeyWZNZMYMNEVSUPX-UHFFFAOYSA-N
MW550.64 g/mol
LogP4.41
Rot. Bonds9

About 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate

2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate (PubChem CID 59769545) has the molecular formula C28H30N4O6S and a molecular weight of 550.64 g/mol. Its IUPAC name is 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate.

Molecular Properties

Compound Name2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate
PubChem CID59769545
Molecular FormulaC28H30N4O6S
Molecular Weight550.64 g/mol
Exact Mass550.19
IUPAC Name2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate
SMILESCOc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2C(=O)N(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C28H30N4O6S/c1-18-16-29-24(19(2)26(18)37-5)17-39(35)27-30-23-15-22(36-4)11-12-25(23)32(27)28(34)31(13-14-38-20(3)33)21-9-7-6-8-10-21/h6-12,15-16H,13-14,17H2,1-5H3
InChIKeyWZNZMYMNEVSUPX-UHFFFAOYSA-N
XLogP4.41
TPSA112.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate with MolForge

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Launch Full Analysis

Related Compounds

2-(N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazole-1-carbonyl]anilino)ethyl acetate
CID 70799138
2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate
CID 11755245
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-amine
CID 68623258
1-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]-2-methyl-3-nitrosopropan-1-one
CID 90929542
[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]methyl (2S)-2-hydroxy-2-phenylacetate
CID 12016905
sodium 2-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate
CID 23682524
4-methoxy-3-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoate
CID 58999245
2-(carboxymethoxy)-5-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoic acid
CID 20786529
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;phthalic acid
CID 67707184
sodium 2-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-3-methyl-5-propan-2-ylphenoxy]acetate
CID 20786362
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
1-(benzenesulfonyl)-5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]imidazo[4,5-b]pyridine
CID 59620284

Frequently Asked Questions

What is the IUPAC name of 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate?
The IUPAC name of 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate (CID 59769545) is 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate.
What is the SMILES notation for 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate?
The canonical SMILES for 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate is COc1ccc2c(c1)nc(S(=O)Cc1ncc(C)c(OC)c1C)n2C(=O)N(CCOC(C)=O)c1ccccc1.
What is the InChIKey of 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate?
The InChIKey is WZNZMYMNEVSUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O6S/c1-18-16-29-24(19(2)26(18)37-5)17-39(35)27-30-23-15-22(36-4)11-12-25(23)32(27)28(34)31(13-14-38-20(3)33)21-9-7-6-8-10-21/h6-12,15-16H,13-14,17H2,1-5H3.
What are the key properties of 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate?
2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate has a molecular weight of 550.64 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate is sourced from PubChem (CID 59769545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).