7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one

C14H14N2O3 — CID 18626469

IUPAC7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H14N2O3/c17-13-3-7-19-14-9-11(1-2-12(13)14)18-8-6-16-5-4-15-10-16/h1-2,4-5,9-10H,3,6-8H2
InChIKeyVHWBKVZQXAABDE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.93
Rot. Bonds4

About 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one

7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one (PubChem CID 18626469) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one
PubChem CID18626469
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2cc(OCCn3ccnc3)ccc21
InChIInChI=1S/C14H14N2O3/c17-13-3-7-19-14-9-11(1-2-12(13)14)18-8-6-16-5-4-15-10-16/h1-2,4-5,9-10H,3,6-8H2
InChIKeyVHWBKVZQXAABDE-UHFFFAOYSA-N
XLogP1.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one 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 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one (CID 18626469) is 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one is O=C1CCOc2cc(OCCn3ccnc3)ccc21.
What is the InChIKey of 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one?
The InChIKey is VHWBKVZQXAABDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-3-7-19-14-9-11(1-2-12(13)14)18-8-6-16-5-4-15-10-16/h1-2,4-5,9-10H,3,6-8H2.
What are the key properties of 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one?
7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one has a molecular weight of 258.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazol-1-ylethoxy)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 18626469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).