ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate

C24H23N3O5S — CID 15059508

IUPACethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(S(=O)c3ccccc3-c3cc(OC)ccn3)nc2cc1OCC
InChIInChI=1S/C24H23N3O5S/c1-4-31-21-14-20-19(13-17(21)23(28)32-5-2)26-24(27-20)33(29)22-9-7-6-8-16(22)18-12-15(30-3)10-11-25-18/h6-14H,4-5H2,1-3H3,(H,26,27)
InChIKeyDVELHEHQGZDKQI-UHFFFAOYSA-N
MW465.53 g/mol
LogP4.38
Rot. Bonds8

About ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate

ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate (PubChem CID 15059508) has the molecular formula C24H23N3O5S and a molecular weight of 465.53 g/mol. Its IUPAC name is ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
PubChem CID15059508
Molecular FormulaC24H23N3O5S
Molecular Weight465.53 g/mol
Exact Mass465.14
IUPAC Nameethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate
SMILESCCOC(=O)c1cc2[nH]c(S(=O)c3ccccc3-c3cc(OC)ccn3)nc2cc1OCC
InChIInChI=1S/C24H23N3O5S/c1-4-31-21-14-20-19(13-17(21)23(28)32-5-2)26-24(27-20)33(29)22-9-7-6-8-16(22)18-12-15(30-3)10-11-25-18/h6-14H,4-5H2,1-3H3,(H,26,27)
InChIKeyDVELHEHQGZDKQI-UHFFFAOYSA-N
XLogP4.38
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 15059490
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinyl]aniline
CID 19866674
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(2-ethoxy-5-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535820
2-[2-(5-methoxy-2-pyridinyl)-6-methylphenyl]sulfinyl-1H-benzimidazole
CID 10109320
2-[2-(3-ethyl-2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole
CID 19866725
6-methoxy-2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
CID 13018818
4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine
CID 67570388
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
ethyl 2-chloro-4-(4-methoxy-2-pyridinyl)-1,3-thiazole-5-carboxylate
CID 59864641
ethyl 4-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carboxylate
CID 132851457
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate?
The IUPAC name of ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate (CID 15059508) is ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate is CCOC(=O)c1cc2[nH]c(S(=O)c3ccccc3-c3cc(OC)ccn3)nc2cc1OCC.
What is the InChIKey of ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate?
The InChIKey is DVELHEHQGZDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5S/c1-4-31-21-14-20-19(13-17(21)23(28)32-5-2)26-24(27-20)33(29)22-9-7-6-8-16(22)18-12-15(30-3)10-11-25-18/h6-14H,4-5H2,1-3H3,(H,26,27).
What are the key properties of ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate?
ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate has a molecular weight of 465.53 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-2-[2-(4-methoxy-2-pyridinyl)phenyl]sulfinyl-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 15059508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).