9-(3-methyl-2H-imidazol-1-yl)acridine

C17H15N3 — CID 102345750

IUPAC9-(3-methyl-2H-imidazol-1-yl)acridine
SMILESCN1C=CN(c2c3ccccc3nc3ccccc23)C1
InChIInChI=1S/C17H15N3/c1-19-10-11-20(12-19)17-13-6-2-4-8-15(13)18-16-9-5-3-7-14(16)17/h2-11H,12H2,1H3
InChIKeyVTVLJBGEWXNTEF-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.57
Rot. Bonds1

About 9-(3-methyl-2H-imidazol-1-yl)acridine

9-(3-methyl-2H-imidazol-1-yl)acridine (PubChem CID 102345750) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 9-(3-methyl-2H-imidazol-1-yl)acridine.

Molecular Properties

Compound Name9-(3-methyl-2H-imidazol-1-yl)acridine
PubChem CID102345750
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name9-(3-methyl-2H-imidazol-1-yl)acridine
SMILESCN1C=CN(c2c3ccccc3nc3ccccc23)C1
InChIInChI=1S/C17H15N3/c1-19-10-11-20(12-19)17-13-6-2-4-8-15(13)18-16-9-5-3-7-14(16)17/h2-11H,12H2,1H3
InChIKeyVTVLJBGEWXNTEF-UHFFFAOYSA-N
XLogP3.57
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-phenyl-2H-imidazole;quinoline
CID 158967107
9-(1-acridin-9-ylethyl)acridine
CID 118649577
4-(3-methyl-2H-imidazol-1-yl)-2-methylsulfanylpyrimidine
CID 159726836
14-methyl-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene
CID 20583393
acridin-9-amine;λ2-plumbane
CID 173496858
2-(2-chloroacridin-9-yl)-5-methyl-4H-pyrazol-3-one
CID 46206709
4-methyl-2,3-dihydro-[1,3,4]thiadiazino[2,3-b]quinazolin-6-one
CID 12577138
1-methylpyrazolo[4,3-b]quinolin-9-amine
CID 3547873
tris(1-ethyl-3-methyl-2H-imidazole);quinoline;tetrafluoroborate
CID 174804773
9-(tribromomethyl)acridine
CID 18471467
phenazine;silver
CID 175026023
hydron;phenazine
CID 175446889

Frequently Asked Questions

What is the IUPAC name of 9-(3-methyl-2H-imidazol-1-yl)acridine?
The IUPAC name of 9-(3-methyl-2H-imidazol-1-yl)acridine (CID 102345750) is 9-(3-methyl-2H-imidazol-1-yl)acridine.
What is the SMILES notation for 9-(3-methyl-2H-imidazol-1-yl)acridine?
The canonical SMILES for 9-(3-methyl-2H-imidazol-1-yl)acridine is CN1C=CN(c2c3ccccc3nc3ccccc23)C1.
What is the InChIKey of 9-(3-methyl-2H-imidazol-1-yl)acridine?
The InChIKey is VTVLJBGEWXNTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-19-10-11-20(12-19)17-13-6-2-4-8-15(13)18-16-9-5-3-7-14(16)17/h2-11H,12H2,1H3.
What are the key properties of 9-(3-methyl-2H-imidazol-1-yl)acridine?
9-(3-methyl-2H-imidazol-1-yl)acridine has a molecular weight of 261.33 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methyl-2H-imidazol-1-yl)acridine is sourced from PubChem (CID 102345750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).