3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole

C18H14N4S2 — CID 135761938

IUPAC3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole
SMILESC1=CC(c2cccs2)(c2cccs2)Cc2[nH]nc(-c3cnc[nH]3)c21
InChIInChI=1S/C18H14N4S2/c1-3-15(23-7-1)18(16-4-2-8-24-16)6-5-12-13(9-18)21-22-17(12)14-10-19-11-20-14/h1-8,10-11H,9H2,(H,19,20)(H,21,22)
InChIKeySRHAYYKUIVTJLJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.48
Rot. Bonds3

About 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole

3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole (PubChem CID 135761938) has the molecular formula C18H14N4S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole
PubChem CID135761938
Molecular FormulaC18H14N4S2
Molecular Weight350.47 g/mol
Exact Mass350.07
IUPAC Name3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole
SMILESC1=CC(c2cccs2)(c2cccs2)Cc2[nH]nc(-c3cnc[nH]3)c21
InChIInChI=1S/C18H14N4S2/c1-3-15(23-7-1)18(16-4-2-8-24-16)6-5-12-13(9-18)21-22-17(12)14-10-19-11-20-14/h1-8,10-11H,9H2,(H,19,20)(H,21,22)
InChIKeySRHAYYKUIVTJLJ-UHFFFAOYSA-N
XLogP4.48
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole?
The IUPAC name of 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole (CID 135761938) is 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole?
The canonical SMILES for 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole is C1=CC(c2cccs2)(c2cccs2)Cc2[nH]nc(-c3cnc[nH]3)c21.
What is the InChIKey of 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole?
The InChIKey is SRHAYYKUIVTJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S2/c1-3-15(23-7-1)18(16-4-2-8-24-16)6-5-12-13(9-18)21-22-17(12)14-10-19-11-20-14/h1-8,10-11H,9H2,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole?
3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole has a molecular weight of 350.47 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-6,6-dithiophen-2-yl-1,7-dihydroindazole is sourced from PubChem (CID 135761938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).