(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole

C15H12N2S3 — CID 11162886

IUPAC(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole
SMILESc1csc(C2=N[C@@H](c3cccs3)[C@@H](c3cccs3)N2)c1
InChIInChI=1S/C15H12N2S3/c1-4-10(18-7-1)13-14(11-5-2-8-19-11)17-15(16-13)12-6-3-9-20-12/h1-9,13-14H,(H,16,17)/t13-,14+
InChIKeyCHAHLJPKSHDPTQ-OKILXGFUSA-N
MW316.48 g/mol
LogP4.70
Rot. Bonds3

About (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole

(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 11162886) has the molecular formula C15H12N2S3 and a molecular weight of 316.48 g/mol. Its IUPAC name is (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole
PubChem CID11162886
Molecular FormulaC15H12N2S3
Molecular Weight316.48 g/mol
Exact Mass316.02
IUPAC Name(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole
SMILESc1csc(C2=N[C@@H](c3cccs3)[C@@H](c3cccs3)N2)c1
InChIInChI=1S/C15H12N2S3/c1-4-10(18-7-1)13-14(11-5-2-8-19-11)17-15(16-13)12-6-3-9-20-12/h1-9,13-14H,(H,16,17)/t13-,14+
InChIKeyCHAHLJPKSHDPTQ-OKILXGFUSA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole (CID 11162886) is (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole is c1csc(C2=N[C@@H](c3cccs3)[C@@H](c3cccs3)N2)c1.
What is the InChIKey of (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is CHAHLJPKSHDPTQ-OKILXGFUSA-N. The full InChI is InChI=1S/C15H12N2S3/c1-4-10(18-7-1)13-14(11-5-2-8-19-11)17-15(16-13)12-6-3-9-20-12/h1-9,13-14H,(H,16,17)/t13-,14+.
What are the key properties of (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole?
(4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 316.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2,4,5-trithiophen-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11162886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).