2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide

C20H25N3O2 — CID 167967580

IUPAC2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C20H25N3O2/c1-4-5-9-18-19(16-8-6-7-10-17(16)25-18)20(24)21-11-12-23-13-22-14(2)15(23)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,21,24)
InChIKeyNCXLYTQGSZSDOU-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.02
Rot. Bonds7

About 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide

2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide (PubChem CID 167967580) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
PubChem CID167967580
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide
SMILESCCCCc1oc2ccccc2c1C(=O)NCCn1cnc(C)c1C
InChIInChI=1S/C20H25N3O2/c1-4-5-9-18-19(16-8-6-7-10-17(16)25-18)20(24)21-11-12-23-13-22-14(2)15(23)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,21,24)
InChIKeyNCXLYTQGSZSDOU-UHFFFAOYSA-N
XLogP4.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide (CID 167967580) is 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide is CCCCc1oc2ccccc2c1C(=O)NCCn1cnc(C)c1C.
What is the InChIKey of 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide?
The InChIKey is NCXLYTQGSZSDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-5-9-18-19(16-8-6-7-10-17(16)25-18)20(24)21-11-12-23-13-22-14(2)15(23)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide?
2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167967580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).