ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate

C22H18N4O3 — CID 162653289

IUPACethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1C#N
InChIInChI=1S/C22H18N4O3/c1-3-28-22(27)20-15(2)25-21(17-10-6-7-16(11-17)12-23)26(20)29-14-19-9-5-4-8-18(19)13-24/h4-11H,3,14H2,1-2H3
InChIKeyIKQNODZXKUXRKH-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.41
Rot. Bonds6

About ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate

ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate (PubChem CID 162653289) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
PubChem CID162653289
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Nameethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1C#N
InChIInChI=1S/C22H18N4O3/c1-3-28-22(27)20-15(2)25-21(17-10-6-7-16(11-17)12-23)26(20)29-14-19-9-5-4-8-18(19)13-24/h4-11H,3,14H2,1-2H3
InChIKeyIKQNODZXKUXRKH-UHFFFAOYSA-N
XLogP3.41
TPSA100.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.41
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)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate (CID 162653289) is ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1C#N.
What is the InChIKey of ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate?
The InChIKey is IKQNODZXKUXRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-3-28-22(27)20-15(2)25-21(17-10-6-7-16(11-17)12-23)26(20)29-14-19-9-5-4-8-18(19)13-24/h4-11H,3,14H2,1-2H3.
What are the key properties of ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate?
ethyl 2-(3-cyanophenyl)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 3.41, 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)-3-[(2-cyanophenyl)methoxy]-5-methylimidazole-4-carboxylate is sourced from PubChem (CID 162653289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).