7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one

C19H15N3O2 — CID 51356253

IUPAC7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1
InChIInChI=1S/C19H15N3O2/c23-19-10-14(12-22-9-8-20-13-22)17-7-6-16(11-18(17)24-19)21-15-4-2-1-3-5-15/h1-11,13,21H,12H2
InChIKeyVKMXAGGLAOGTBX-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.78
Rot. Bonds4

About 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one

7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one (PubChem CID 51356253) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one
PubChem CID51356253
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1
InChIInChI=1S/C19H15N3O2/c23-19-10-14(12-22-9-8-20-13-22)17-7-6-16(11-18(17)24-19)21-15-4-2-1-3-5-15/h1-11,13,21H,12H2
InChIKeyVKMXAGGLAOGTBX-UHFFFAOYSA-N
XLogP3.78
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
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 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one (CID 51356253) is 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(Nc3ccccc3)cc2o1.
What is the InChIKey of 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one?
The InChIKey is VKMXAGGLAOGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19-10-14(12-22-9-8-20-13-22)17-7-6-16(11-18(17)24-19)21-15-4-2-1-3-5-15/h1-11,13,21H,12H2.
What are the key properties of 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one?
7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-4-(imidazol-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 51356253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).