4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one

C19H14N2O3 — CID 11738647

IUPAC4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
InChIInChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyFUYHNARLSZKQAR-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.83
Rot. Bonds4

About 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one

4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one (PubChem CID 11738647) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one
PubChem CID11738647
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
InChIInChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
InChIKeyFUYHNARLSZKQAR-UHFFFAOYSA-N
XLogP3.83
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one?
The IUPAC name of 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one (CID 11738647) is 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one?
The InChIKey is FUYHNARLSZKQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one?
4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one has a molecular weight of 318.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-7-phenoxychromen-2-one is sourced from PubChem (CID 11738647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).