acridin-4-yl(imidazol-1-yl)methanone

C17H11N3O — CID 10849851

IUPACacridin-4-yl(imidazol-1-yl)methanone
SMILESO=C(c1cccc2cc3ccccc3nc12)n1ccnc1
InChIInChI=1S/C17H11N3O/c21-17(20-9-8-18-11-20)14-6-3-5-13-10-12-4-1-2-7-15(12)19-16(13)14/h1-11H
InChIKeyCTIMUFUEAPUEQS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.27
Rot. Bonds1

About acridin-4-yl(imidazol-1-yl)methanone

acridin-4-yl(imidazol-1-yl)methanone (PubChem CID 10849851) has the molecular formula C17H11N3O and a molecular weight of 273.30 g/mol. Its IUPAC name is acridin-4-yl(imidazol-1-yl)methanone.

Molecular Properties

Compound Nameacridin-4-yl(imidazol-1-yl)methanone
PubChem CID10849851
Molecular FormulaC17H11N3O
Molecular Weight273.30 g/mol
Exact Mass273.09
IUPAC Nameacridin-4-yl(imidazol-1-yl)methanone
SMILESO=C(c1cccc2cc3ccccc3nc12)n1ccnc1
InChIInChI=1S/C17H11N3O/c21-17(20-9-8-18-11-20)14-6-3-5-13-10-12-4-1-2-7-15(12)19-16(13)14/h1-11H
InChIKeyCTIMUFUEAPUEQS-UHFFFAOYSA-N
XLogP3.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridin-4-yl(imidazol-1-yl)methanone?
The IUPAC name of acridin-4-yl(imidazol-1-yl)methanone (CID 10849851) is acridin-4-yl(imidazol-1-yl)methanone.
What is the SMILES notation for acridin-4-yl(imidazol-1-yl)methanone?
The canonical SMILES for acridin-4-yl(imidazol-1-yl)methanone is O=C(c1cccc2cc3ccccc3nc12)n1ccnc1.
What is the InChIKey of acridin-4-yl(imidazol-1-yl)methanone?
The InChIKey is CTIMUFUEAPUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O/c21-17(20-9-8-18-11-20)14-6-3-5-13-10-12-4-1-2-7-15(12)19-16(13)14/h1-11H.
What are the key properties of acridin-4-yl(imidazol-1-yl)methanone?
acridin-4-yl(imidazol-1-yl)methanone has a molecular weight of 273.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-4-yl(imidazol-1-yl)methanone is sourced from PubChem (CID 10849851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).