5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one

C24H19N3OS — CID 90885135

IUPAC5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2c3ccccc3nc3ccccc23)c(S)n1Cc1ccccc1
InChIInChI=1S/C24H19N3OS/c28-24-26-22(23(29)27(24)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-13,29H,14-15H2,(H,26,28)
InChIKeyYFINGFJCPDXQJT-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.81
Rot. Bonds4

About 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one

5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one (PubChem CID 90885135) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one
PubChem CID90885135
Molecular FormulaC24H19N3OS
Molecular Weight397.50 g/mol
Exact Mass397.12
IUPAC Name5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2c3ccccc3nc3ccccc23)c(S)n1Cc1ccccc1
InChIInChI=1S/C24H19N3OS/c28-24-26-22(23(29)27(24)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-13,29H,14-15H2,(H,26,28)
InChIKeyYFINGFJCPDXQJT-UHFFFAOYSA-N
XLogP4.81
TPSA50.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
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3-benzyl-4-(methylamino)-2-oxo-1H-imidazole-5-carbonitrile
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1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
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9-[(4-methylphenyl)methyl]acridine;hydrochloride
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3-benzyl-2-[(1R)-1-(ethylamino)ethyl]quinazolin-4-one
CID 769316
3-benzyl-2-[(E)-2-pyridin-4-ylethenyl]quinazolin-4-one
CID 53245550
(5Z)-5-(acridin-9-ylmethylidene)-1-benzyl-4-sulfanylideneimidazolidin-2-one
CID 23651803
2-(4-methylphenyl)-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 17036011
(6-amino-9-benzyl-8-oxo-7H-purin-2-yl)methylphosphonic acid
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2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652

Frequently Asked Questions

What is the IUPAC name of 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one?
The IUPAC name of 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one (CID 90885135) is 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one?
The canonical SMILES for 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one is O=c1[nH]c(Cc2c3ccccc3nc3ccccc23)c(S)n1Cc1ccccc1.
What is the InChIKey of 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one?
The InChIKey is YFINGFJCPDXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3OS/c28-24-26-22(23(29)27(24)15-16-8-2-1-3-9-16)14-19-17-10-4-6-12-20(17)25-21-13-7-5-11-18(19)21/h1-13,29H,14-15H2,(H,26,28).
What are the key properties of 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one?
5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one has a molecular weight of 397.50 g/mol, XLogP of 4.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(acridin-9-ylmethyl)-3-benzyl-4-sulfanyl-1H-imidazol-2-one is sourced from PubChem (CID 90885135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).