4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride

C15H10ClFN2O2 — CID 142499916

IUPAC4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1
InChIInChI=1S/C15H10ClFN2O2/c16-15(20)13-5-9-12(21-13)4-3-10(17)14(9)19-6-11(18-7-19)8-1-2-8/h3-8H,1-2H2
InChIKeyZSCLPTMRVLVUMV-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.01
Rot. Bonds3

About 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride (PubChem CID 142499916) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride
PubChem CID142499916
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride
SMILESO=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1
InChIInChI=1S/C15H10ClFN2O2/c16-15(20)13-5-9-12(21-13)4-3-10(17)14(9)19-6-11(18-7-19)8-1-2-8/h3-8H,1-2H2
InChIKeyZSCLPTMRVLVUMV-UHFFFAOYSA-N
XLogP4.01
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.01
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)-5-fluoro-1-benzofuran-2-carbonyl chloride?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride (CID 142499916) is 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride is O=C(Cl)c1cc2c(-n3cnc(C4CC4)c3)c(F)ccc2o1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride?
The InChIKey is ZSCLPTMRVLVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-15(20)13-5-9-12(21-13)4-3-10(17)14(9)19-6-11(18-7-19)8-1-2-8/h3-8H,1-2H2.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride?
4-(4-cyclopropylimidazol-1-yl)-5-fluoro-1-benzofuran-2-carbonyl chloride has a molecular weight of 304.71 g/mol, XLogP of 4.01, 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)-5-fluoro-1-benzofuran-2-carbonyl chloride is sourced from PubChem (CID 142499916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).