ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate

C19H18N2O3 — CID 59324683

IUPACethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OC)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-24-18(22)16-17(14-10-6-4-7-11-14)21(19(20-16)23-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyXOSYWQIGUBNFIX-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate

ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate (PubChem CID 59324683) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate
PubChem CID59324683
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(OC)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-24-18(22)16-17(14-10-6-4-7-11-14)21(19(20-16)23-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3
InChIKeyXOSYWQIGUBNFIX-UHFFFAOYSA-N
XLogP3.72
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate?
The IUPAC name of ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate (CID 59324683) is ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate?
The canonical SMILES for ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate is CCOC(=O)c1nc(OC)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate?
The InChIKey is XOSYWQIGUBNFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-18(22)16-17(14-10-6-4-7-11-14)21(19(20-16)23-2)15-12-8-5-9-13-15/h4-13H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate?
ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-1,5-diphenylimidazole-4-carboxylate is sourced from PubChem (CID 59324683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).