ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate

C21H19N3O3 — CID 162648792

IUPACethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1
InChIInChI=1S/C21H19N3O3/c1-3-26-21(25)19-15(2)23-20(18-11-7-10-17(12-18)13-22)24(19)27-14-16-8-5-4-6-9-16/h4-12H,3,14H2,1-2H3
InChIKeyCLVOGYUWBQYLIM-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.54
Rot. Bonds6

About ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate

ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate (PubChem CID 162648792) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate
PubChem CID162648792
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Nameethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1
InChIInChI=1S/C21H19N3O3/c1-3-26-21(25)19-15(2)23-20(18-11-7-10-17(12-18)13-22)24(19)27-14-16-8-5-4-6-9-16/h4-12H,3,14H2,1-2H3
InChIKeyCLVOGYUWBQYLIM-UHFFFAOYSA-N
XLogP3.54
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate (CID 162648792) is ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate is CCOC(=O)c1c(C)nc(-c2cccc(C#N)c2)n1OCc1ccccc1.
What is the InChIKey of ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate?
The InChIKey is CLVOGYUWBQYLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-26-21(25)19-15(2)23-20(18-11-7-10-17(12-18)13-22)24(19)27-14-16-8-5-4-6-9-16/h4-12H,3,14H2,1-2H3.
What are the key properties of ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate?
ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyanophenyl)-5-methyl-3-phenylmethoxyimidazole-4-carboxylate is sourced from PubChem (CID 162648792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).