4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride

C15H11ClN2O2 — CID 142499957

IUPAC4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)cccc2o1
InChIInChI=1S/C15H11ClN2O2/c16-15(19)14-6-10-12(2-1-3-13(10)20-14)18-7-11(17-8-18)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyZVDJJVRPCWYAFN-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.87
Rot. Bonds3

About 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride

4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride (PubChem CID 142499957) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
PubChem CID142499957
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)cccc2o1
InChIInChI=1S/C15H11ClN2O2/c16-15(19)14-6-10-12(2-1-3-13(10)20-14)18-7-11(17-8-18)9-4-5-9/h1-3,6-9H,4-5H2
InChIKeyZVDJJVRPCWYAFN-UHFFFAOYSA-N
XLogP3.87
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride (CID 142499957) is 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride is O=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)cccc2o1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
The InChIKey is ZVDJJVRPCWYAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-15(19)14-6-10-12(2-1-3-13(10)20-14)18-7-11(17-8-18)9-4-5-9/h1-3,6-9H,4-5H2.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride?
4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride has a molecular weight of 286.72 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-1-benzofuran-2-carbonyl chloride is sourced from PubChem (CID 142499957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).