N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide

C17H17N3O2 — CID 24983140

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C17H17N3O2/c1-12-3-8-16(22-12)17(21)19-13(2)14-4-6-15(7-5-14)20-10-9-18-11-20/h3-11,13H,1-2H3,(H,19,21)
InChIKeyWTGAICMAGGLKPL-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 24983140) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide
PubChem CID24983140
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)o1
InChIInChI=1S/C17H17N3O2/c1-12-3-8-16(22-12)17(21)19-13(2)14-4-6-15(7-5-14)20-10-9-18-11-20/h3-11,13H,1-2H3,(H,19,21)
InChIKeyWTGAICMAGGLKPL-UHFFFAOYSA-N
XLogP3.26
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide (CID 24983140) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)o1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is WTGAICMAGGLKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-3-8-16(22-12)17(21)19-13(2)14-4-6-15(7-5-14)20-10-9-18-11-20/h3-11,13H,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 24983140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).