ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate

C20H18N4O3 — CID 162655297

IUPACethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccncc1
InChIInChI=1S/C20H18N4O3/c1-3-26-20(25)18-14(2)23-19(17-6-4-5-16(11-17)12-21)24(18)27-13-15-7-9-22-10-8-15/h4-11H,3,13H2,1-2H3
InChIKeyBSWPZPGRYUWNPP-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.93
Rot. Bonds6

About ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate

ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate (PubChem CID 162655297) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate
PubChem CID162655297
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccncc1
InChIInChI=1S/C20H18N4O3/c1-3-26-20(25)18-14(2)23-19(17-6-4-5-16(11-17)12-21)24(18)27-13-15-7-9-22-10-8-15/h4-11H,3,13H2,1-2H3
InChIKeyBSWPZPGRYUWNPP-UHFFFAOYSA-N
XLogP2.93
TPSA90.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate (CID 162655297) is ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccncc1.
What is the InChIKey of ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate?
The InChIKey is BSWPZPGRYUWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-26-20(25)18-14(2)23-19(17-6-4-5-16(11-17)12-21)24(18)27-13-15-7-9-22-10-8-15/h4-11H,3,13H2,1-2H3.
What are the key properties of ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate?
ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanophenyl)-5-methyl-3-(pyridin-4-ylmethoxy)imidazole-4-carboxylate is sourced from PubChem (CID 162655297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).