5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione

C14H13N3S — CID 81423514

IUPAC5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
SMILESCc1cn(Cc2cccc3cccnc23)c(=S)[nH]1
InChIInChI=1S/C14H13N3S/c1-10-8-17(14(18)16-10)9-12-5-2-4-11-6-3-7-15-13(11)12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyXTENJULYJRMWJC-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds2

About 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione

5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione (PubChem CID 81423514) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
PubChem CID81423514
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione
SMILESCc1cn(Cc2cccc3cccnc23)c(=S)[nH]1
InChIInChI=1S/C14H13N3S/c1-10-8-17(14(18)16-10)9-12-5-2-4-11-6-3-7-15-13(11)12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyXTENJULYJRMWJC-UHFFFAOYSA-N
XLogP3.45
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
5-ethyl-1-(quinolin-8-ylmethyl)pyrimidine-2,4-dione
CID 66329338
8-[(2,5-dimethylpyrrol-1-yl)methyl]quinoline
CID 81423655
1-(quinolin-8-ylmethyl)pyrrole-2-carbaldehyde
CID 66410307
3-(aminomethyl)-1-(quinolin-8-ylmethyl)pyridin-2-one
CID 107017504
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
aluminum quinolin-8-ylmethanol
CID 23124809
2-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 120907566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione (CID 81423514) is 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione is Cc1cn(Cc2cccc3cccnc23)c(=S)[nH]1.
What is the InChIKey of 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione?
The InChIKey is XTENJULYJRMWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-8-17(14(18)16-10)9-12-5-2-4-11-6-3-7-15-13(11)12/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione?
5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione has a molecular weight of 255.35 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(quinolin-8-ylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 81423514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).