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

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Related Compounds

7-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-quinolin-4-one
CID 18626516
7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
2-(1,3-benzodioxol-5-ylmethylidene)-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 54286466
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]butanoic acid
CID 142606333
(1S)-5-(2-imidazol-1-ylethoxy)-2,3-dihydro-1H-inden-1-ol
CID 114091266
(2E)-2-[(4-fluorophenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 18626475
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
6-(2-imidazol-1-ylethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 142643783
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317763
2-[(2,3-dimethoxyphenyl)methylidene]-6-(2-imidazol-1-ylethoxy)-3,4-dihydronaphthalen-1-one
CID 54154260
4-[[6-(2-imidazol-1-ylethoxy)-1-oxo-3,4-dihydronaphthalen-2-ylidene]methyl]benzoic acid
CID 54557207

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).