3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one

C12H10N2O2 — CID 90955944

IUPAC3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one
SMILESO=C1Oc2ccccc2CC1c1ncc[nH]1
InChIInChI=1S/C12H10N2O2/c15-12-9(11-13-5-6-14-11)7-8-3-1-2-4-10(8)16-12/h1-6,9H,7H2,(H,13,14)
InChIKeyIUHAMJCCVYAZGE-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.65
Rot. Bonds1

About 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one

3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one (PubChem CID 90955944) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one
PubChem CID90955944
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one
SMILESO=C1Oc2ccccc2CC1c1ncc[nH]1
InChIInChI=1S/C12H10N2O2/c15-12-9(11-13-5-6-14-11)7-8-3-1-2-4-10(8)16-12/h1-6,9H,7H2,(H,13,14)
InChIKeyIUHAMJCCVYAZGE-UHFFFAOYSA-N
XLogP1.65
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one (CID 90955944) is 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one is O=C1Oc2ccccc2CC1c1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one?
The InChIKey is IUHAMJCCVYAZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12-9(11-13-5-6-14-11)7-8-3-1-2-4-10(8)16-12/h1-6,9H,7H2,(H,13,14).
What are the key properties of 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one?
3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 90955944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).