5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide

C18H19N3O3 — CID 91795041

IUPAC5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyXBPKECWRFJVDAD-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.10
Rot. Bonds6

About 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide

5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 91795041) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID91795041
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1
InChIInChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22)
InChIKeyXBPKECWRFJVDAD-UHFFFAOYSA-N
XLogP3.10
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide (CID 91795041) is 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide is CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)o1.
What is the InChIKey of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is XBPKECWRFJVDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-23-17-9-8-16(24-17)18(22)20-12-14-4-6-15(7-5-14)21-11-10-19-13(21)2/h4-11H,3,12H2,1-2H3,(H,20,22).
What are the key properties of 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide?
5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 91795041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).