4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one

C19H14N2O2 — CID 11426612

IUPAC4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19-18(14-6-2-1-3-7-14)16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2
InChIKeyLEYZDEAPEBHISK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.70
Rot. Bonds3

About 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one

4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one (PubChem CID 11426612) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one
PubChem CID11426612
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one
SMILESO=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19-18(14-6-2-1-3-7-14)16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2
InChIKeyLEYZDEAPEBHISK-UHFFFAOYSA-N
XLogP3.70
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-phenylchromen-2-one?
The IUPAC name of 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one (CID 11426612) is 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one is O=c1oc2ccccc2c(Cn2ccnc2)c1-c1ccccc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one?
The InChIKey is LEYZDEAPEBHISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19-18(14-6-2-1-3-7-14)16(12-21-11-10-20-13-21)15-8-4-5-9-17(15)23-19/h1-11,13H,12H2.
What are the key properties of 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one?
4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one has a molecular weight of 302.33 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-3-phenylchromen-2-one is sourced from PubChem (CID 11426612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).