2-thianthren-2-yl-4,5-dihydro-1H-imidazole

C15H12N2S2 — CID 10779436

IUPAC2-thianthren-2-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)Sc1ccc(C3=NCCN3)cc1S2
InChIInChI=1S/C15H12N2S2/c1-2-4-12-11(3-1)18-13-6-5-10(9-14(13)19-12)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
InChIKeyHMSLVKCXVYWSCB-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.65
Rot. Bonds1

About 2-thianthren-2-yl-4,5-dihydro-1H-imidazole

2-thianthren-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 10779436) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-thianthren-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-thianthren-2-yl-4,5-dihydro-1H-imidazole
PubChem CID10779436
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name2-thianthren-2-yl-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(c1)Sc1ccc(C3=NCCN3)cc1S2
InChIInChI=1S/C15H12N2S2/c1-2-4-12-11(3-1)18-13-6-5-10(9-14(13)19-12)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17)
InChIKeyHMSLVKCXVYWSCB-UHFFFAOYSA-N
XLogP3.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thianthren-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-thianthren-2-yl-4,5-dihydro-1H-imidazole (CID 10779436) is 2-thianthren-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-thianthren-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-thianthren-2-yl-4,5-dihydro-1H-imidazole is c1ccc2c(c1)Sc1ccc(C3=NCCN3)cc1S2.
What is the InChIKey of 2-thianthren-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is HMSLVKCXVYWSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-2-4-12-11(3-1)18-13-6-5-10(9-14(13)19-12)15-16-7-8-17-15/h1-6,9H,7-8H2,(H,16,17).
What are the key properties of 2-thianthren-2-yl-4,5-dihydro-1H-imidazole?
2-thianthren-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 284.41 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thianthren-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10779436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).