ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate

C18H17N3O4S — CID 10499452

IUPACethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2cccnc2)n1
InChIInChI=1S/C18H17N3O4S/c1-3-25-18(22)16-12-21(17(20-16)13-5-4-10-19-11-13)14-6-8-15(9-7-14)26(2,23)24/h4-12H,3H2,1-2H3
InChIKeyMRSPIUOFEMHXAB-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.51
Rot. Bonds5

About ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate

ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate (PubChem CID 10499452) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate
PubChem CID10499452
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Nameethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2cccnc2)n1
InChIInChI=1S/C18H17N3O4S/c1-3-25-18(22)16-12-21(17(20-16)13-5-4-10-19-11-13)14-6-8-15(9-7-14)26(2,23)24/h4-12H,3H2,1-2H3
InChIKeyMRSPIUOFEMHXAB-UHFFFAOYSA-N
XLogP2.51
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-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

ethyl 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxylate;1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 159776110
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
1-(4-chlorophenyl)-N-methyl-2-(4-methylsulfonylphenyl)imidazole-4-carboxamide
CID 54379362
ethyl 4-pyridin-3-yl-1H-pyrrole-3-carboxylate
CID 53404665
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate
CID 22267610
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
3-bromo-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carbonitrile
CID 67634661
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)-4-(phenoxymethyl)imidazole
CID 22998190
ethyl 1-phenyl-2-(trifluoromethyl)imidazole-4-carboxylate
CID 170628931
ethyl 4-pyridin-3-yl-1,3-thiazole-2-carboxylate;hydrobromide
CID 71756591

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate (CID 10499452) is ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate is CCOC(=O)c1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2cccnc2)n1.
What is the InChIKey of ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate?
The InChIKey is MRSPIUOFEMHXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-3-25-18(22)16-12-21(17(20-16)13-5-4-10-19-11-13)14-6-8-15(9-7-14)26(2,23)24/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate?
ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate has a molecular weight of 371.42 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylsulfonylphenyl)-2-pyridin-3-ylimidazole-4-carboxylate is sourced from PubChem (CID 10499452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).