2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one

C19H14N2O3 — CID 23644623

IUPAC2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(-n3ccnc3)oc2c1
InChIInChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyXDJIKPUCOXIQTJ-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.65
Rot. Bonds3

About 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one

2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one (PubChem CID 23644623) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one
PubChem CID23644623
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one
SMILESCOc1ccc2c(=O)c(-c3ccccc3)c(-n3ccnc3)oc2c1
InChIInChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyXDJIKPUCOXIQTJ-UHFFFAOYSA-N
XLogP3.65
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one?
The IUPAC name of 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one (CID 23644623) is 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one.
What is the SMILES notation for 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one?
The canonical SMILES for 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one is COc1ccc2c(=O)c(-c3ccccc3)c(-n3ccnc3)oc2c1.
What is the InChIKey of 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one?
The InChIKey is XDJIKPUCOXIQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one?
2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one has a molecular weight of 318.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one is sourced from PubChem (CID 23644623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).