2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate

C23H28N4O6S — CID 11755245

IUPAC2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C(=O)N(C)CCOC(C)=O)c2c1
InChIInChI=1S/C23H28N4O6S/c1-14-12-24-19(15(2)21(14)32-6)13-34(30)22-25-18-8-7-17(31-5)11-20(18)27(22)23(29)26(4)9-10-33-16(3)28/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyMEDKAZHIKVVXQU-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.84
Rot. Bonds8

About 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate

2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate (PubChem CID 11755245) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate.

Molecular Properties

Compound Name2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate
PubChem CID11755245
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC Name2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C(=O)N(C)CCOC(C)=O)c2c1
InChIInChI=1S/C23H28N4O6S/c1-14-12-24-19(15(2)21(14)32-6)13-34(30)22-25-18-8-7-17(31-5)11-20(18)27(22)23(29)26(4)9-10-33-16(3)28/h7-8,11-12H,9-10,13H2,1-6H3
InChIKeyMEDKAZHIKVVXQU-UHFFFAOYSA-N
XLogP2.84
TPSA112.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate with MolForge

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Launch Full Analysis

Related Compounds

2-(N-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]anilino)ethyl acetate
CID 59769545
2-(N-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-5-methylbenzimidazole-1-carbonyl]anilino)ethyl acetate
CID 70799138
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
2-(4-methylphenyl)sulfonylethyl 3-[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonyl-4-methylbenzoate
CID 20786457
2-[methyl-[2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole-1-carbonyl]amino]ethyl 4-methoxybenzoate
CID 163788927
4-methoxy-3-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzoate
CID 58999245
methanol;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 174757832
3-[methyl-[2-[(S)-[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]benzimidazole-1-carbonyl]amino]propyl acetate
CID 163784308
sodium 2-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazol-1-yl]sulfonylbenzenesulfonate
CID 23682524
6-methoxy-1H-benzimidazole-2-sulfinate;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 158438190

Frequently Asked Questions

What is the IUPAC name of 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate?
The IUPAC name of 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate (CID 11755245) is 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate.
What is the SMILES notation for 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate?
The canonical SMILES for 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate is COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3C)n(C(=O)N(C)CCOC(C)=O)c2c1.
What is the InChIKey of 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate?
The InChIKey is MEDKAZHIKVVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-14-12-24-19(15(2)21(14)32-6)13-34(30)22-25-18-8-7-17(31-5)11-20(18)27(22)23(29)26(4)9-10-33-16(3)28/h7-8,11-12H,9-10,13H2,1-6H3.
What are the key properties of 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate?
2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate has a molecular weight of 488.57 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]benzimidazole-1-carbonyl]-methylamino]ethyl acetate is sourced from PubChem (CID 11755245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).