ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate

C20H20N2O3 — CID 59324890

IUPACethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OC)n(-c2ccccc2C)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-4-25-19(23)17-18(15-11-6-5-7-12-15)22(20(21-17)24-3)16-13-9-8-10-14(16)2/h5-13H,4H2,1-3H3
InChIKeyLRVHGXRAPQDRNW-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.03
Rot. Bonds5

About ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate

ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate (PubChem CID 59324890) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate
PubChem CID59324890
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Nameethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OC)n(-c2ccccc2C)c1-c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-4-25-19(23)17-18(15-11-6-5-7-12-15)22(20(21-17)24-3)16-13-9-8-10-14(16)2/h5-13H,4H2,1-3H3
InChIKeyLRVHGXRAPQDRNW-UHFFFAOYSA-N
XLogP4.03
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate (CID 59324890) is ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate is CCOC(=O)c1nc(OC)n(-c2ccccc2C)c1-c1ccccc1.
What is the InChIKey of ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate?
The InChIKey is LRVHGXRAPQDRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-25-19(23)17-18(15-11-6-5-7-12-15)22(20(21-17)24-3)16-13-9-8-10-14(16)2/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate?
ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-1-(2-methylphenyl)-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 59324890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).