1,3-dihydroimidazole-2-thione;9-phenylacridine

C22H17N3S — CID 88528417

IUPAC1,3-dihydroimidazole-2-thione;9-phenylacridine
SMILESS=c1[nH]cc[nH]1.c1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C19H13N.C3H4N2S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;6-3-4-1-2-5-3/h1-13H;1-2H,(H2,4,5,6)
InChIKeyPUNXKOVMFHRCCX-UHFFFAOYSA-N
MW355.47 g/mol
LogP6.13
Rot. Bonds1

About 1,3-dihydroimidazole-2-thione;9-phenylacridine

1,3-dihydroimidazole-2-thione;9-phenylacridine (PubChem CID 88528417) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is 1,3-dihydroimidazole-2-thione;9-phenylacridine.

Molecular Properties

Compound Name1,3-dihydroimidazole-2-thione;9-phenylacridine
PubChem CID88528417
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name1,3-dihydroimidazole-2-thione;9-phenylacridine
SMILESS=c1[nH]cc[nH]1.c1ccc(-c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C19H13N.C3H4N2S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;6-3-4-1-2-5-3/h1-13H;1-2H,(H2,4,5,6)
InChIKeyPUNXKOVMFHRCCX-UHFFFAOYSA-N
XLogP6.13
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.47
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroimidazole-2-thione;9-phenylacridine?
The IUPAC name of 1,3-dihydroimidazole-2-thione;9-phenylacridine (CID 88528417) is 1,3-dihydroimidazole-2-thione;9-phenylacridine.
What is the SMILES notation for 1,3-dihydroimidazole-2-thione;9-phenylacridine?
The canonical SMILES for 1,3-dihydroimidazole-2-thione;9-phenylacridine is S=c1[nH]cc[nH]1.c1ccc(-c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 1,3-dihydroimidazole-2-thione;9-phenylacridine?
The InChIKey is PUNXKOVMFHRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.C3H4N2S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19;6-3-4-1-2-5-3/h1-13H;1-2H,(H2,4,5,6).
What are the key properties of 1,3-dihydroimidazole-2-thione;9-phenylacridine?
1,3-dihydroimidazole-2-thione;9-phenylacridine has a molecular weight of 355.47 g/mol, XLogP of 6.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroimidazole-2-thione;9-phenylacridine is sourced from PubChem (CID 88528417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).