4-(2-imidazol-1-ylethoxy)chromen-2-one

C14H12N2O3 — CID 11311402

IUPAC4-(2-imidazol-1-ylethoxy)chromen-2-one
SMILESO=c1cc(OCCn2ccnc2)c2ccccc2o1
InChIInChI=1S/C14H12N2O3/c17-14-9-13(11-3-1-2-4-12(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
InChIKeyMXJNKMWQNZHBOE-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.07
Rot. Bonds4

About 4-(2-imidazol-1-ylethoxy)chromen-2-one

4-(2-imidazol-1-ylethoxy)chromen-2-one (PubChem CID 11311402) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(2-imidazol-1-ylethoxy)chromen-2-one.

Molecular Properties

Compound Name4-(2-imidazol-1-ylethoxy)chromen-2-one
PubChem CID11311402
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-(2-imidazol-1-ylethoxy)chromen-2-one
SMILESO=c1cc(OCCn2ccnc2)c2ccccc2o1
InChIInChI=1S/C14H12N2O3/c17-14-9-13(11-3-1-2-4-12(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2
InChIKeyMXJNKMWQNZHBOE-UHFFFAOYSA-N
XLogP2.07
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Dazoxiben
CID 53001
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
7-Benzyloxy-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11232831
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-methoxy-
CID 11288325
2H-1-Benzopyran-2-one, 6-(1H-imidazol-1-ylmethyl)-
CID 11322098
7-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11401873
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-7-phenoxy-
CID 11738647
3-(1H-Imidazol-1-ylmethyl)-7-methoxy-4-phenyl-2H-chromen-2-one
CID 11739060
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348

Frequently Asked Questions

What is the IUPAC name of 4-(2-imidazol-1-ylethoxy)chromen-2-one?
The IUPAC name of 4-(2-imidazol-1-ylethoxy)chromen-2-one (CID 11311402) is 4-(2-imidazol-1-ylethoxy)chromen-2-one.
What is the SMILES notation for 4-(2-imidazol-1-ylethoxy)chromen-2-one?
The canonical SMILES for 4-(2-imidazol-1-ylethoxy)chromen-2-one is O=c1cc(OCCn2ccnc2)c2ccccc2o1.
What is the InChIKey of 4-(2-imidazol-1-ylethoxy)chromen-2-one?
The InChIKey is MXJNKMWQNZHBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c17-14-9-13(11-3-1-2-4-12(11)19-14)18-8-7-16-6-5-15-10-16/h1-6,9-10H,7-8H2.
What are the key properties of 4-(2-imidazol-1-ylethoxy)chromen-2-one?
4-(2-imidazol-1-ylethoxy)chromen-2-one has a molecular weight of 256.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-imidazol-1-ylethoxy)chromen-2-one is sourced from PubChem (CID 11311402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).