methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate

C17H15ClN2O3S — CID 59553958

IUPACmethyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2ccnc2)cc1OC(C)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-11(12-5-3-4-6-13(12)18)23-14-9-15(20-8-7-19-10-20)24-16(14)17(21)22-2/h3-11H,1-2H3
InChIKeyTTWRHDNFCNMNAG-UHFFFAOYSA-N
MW362.84 g/mol
LogP4.51
Rot. Bonds5

About methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate

methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate (PubChem CID 59553958) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate
PubChem CID59553958
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Namemethyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(-n2ccnc2)cc1OC(C)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3S/c1-11(12-5-3-4-6-13(12)18)23-14-9-15(20-8-7-19-10-20)24-16(14)17(21)22-2/h3-11H,1-2H3
InChIKeyTTWRHDNFCNMNAG-UHFFFAOYSA-N
XLogP4.51
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate (CID 59553958) is methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate is COC(=O)c1sc(-n2ccnc2)cc1OC(C)c1ccccc1Cl.
What is the InChIKey of methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate?
The InChIKey is TTWRHDNFCNMNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-11(12-5-3-4-6-13(12)18)23-14-9-15(20-8-7-19-10-20)24-16(14)17(21)22-2/h3-11H,1-2H3.
What are the key properties of methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate?
methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate has a molecular weight of 362.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(2-chlorophenyl)ethoxy]-5-imidazol-1-ylthiophene-2-carboxylate is sourced from PubChem (CID 59553958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).