4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione

C11H9N3S — CID 116879571

IUPAC4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C11H9N3S/c15-11-13-6-10(14-11)8-5-12-9-4-2-1-3-7(8)9/h1-6,12H,(H2,13,14,15)
InChIKeyUEUHLFVIJVQDBF-UHFFFAOYSA-N
MW215.28 g/mol
LogP3.22
Rot. Bonds1

About 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione

4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione (PubChem CID 116879571) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
PubChem CID116879571
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]cc(-c2c[nH]c3ccccc23)[nH]1
InChIInChI=1S/C11H9N3S/c15-11-13-6-10(14-11)8-5-12-9-4-2-1-3-7(8)9/h1-6,12H,(H2,13,14,15)
InChIKeyUEUHLFVIJVQDBF-UHFFFAOYSA-N
XLogP3.22
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
methane;3-phenyl-1H-indole
CID 167711687
2-(1H-indol-3-yl)aniline
CID 25210227
3-pyridin-4-yl-1H-indole
CID 159430533
2-(1H-indol-3-yl)-1H-benzimidazole;hydroiodide
CID 146120911
7-amino-5-(1H-indol-3-yl)-2-sulfanylidene-1H-pyrimido[4,5-d]pyrimidin-4-one
CID 172511081
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790
6-(1H-indol-3-yl)-1,3,5-triazine-2,4-diamine
CID 14358165
3-selenophen-3-yl-1H-indole
CID 172687762
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
CID 116881037

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione (CID 116879571) is 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione is S=c1[nH]cc(-c2c[nH]c3ccccc23)[nH]1.
What is the InChIKey of 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione?
The InChIKey is UEUHLFVIJVQDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c15-11-13-6-10(14-11)8-5-12-9-4-2-1-3-7(8)9/h1-6,12H,(H2,13,14,15).
What are the key properties of 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione?
4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione has a molecular weight of 215.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 116879571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).