2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride

C14H24Cl2N6O2S2 — CID 3063101

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CSC1=NCCN1)N1CCN(C(=O)CSC2=NCCN2)CC1
InChIInChI=1S/C14H22N6O2S2.2ClH/c21-11(9-23-13-15-1-2-16-13)19-5-7-20(8-6-19)12(22)10-24-14-17-3-4-18-14;;/h1-10H2,(H,15,16)(H,17,18);2*1H
InChIKeyKBORCGUVYHANRI-UHFFFAOYSA-N
MW443.43 g/mol
LogP-0.11
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 3063101) has the molecular formula C14H24Cl2N6O2S2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride
PubChem CID3063101
Molecular FormulaC14H24Cl2N6O2S2
Molecular Weight443.43 g/mol
Exact Mass442.08
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CSC1=NCCN1)N1CCN(C(=O)CSC2=NCCN2)CC1
InChIInChI=1S/C14H22N6O2S2.2ClH/c21-11(9-23-13-15-1-2-16-13)19-5-7-20(8-6-19)12(22)10-24-14-17-3-4-18-14;;/h1-10H2,(H,15,16)(H,17,18);2*1H
InChIKeyKBORCGUVYHANRI-UHFFFAOYSA-N
XLogP-0.11
TPSA89.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride (CID 3063101) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CSC1=NCCN1)N1CCN(C(=O)CSC2=NCCN2)CC1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is KBORCGUVYHANRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2S2.2ClH/c21-11(9-23-13-15-1-2-16-13)19-5-7-20(8-6-19)12(22)10-24-14-17-3-4-18-14;;/h1-10H2,(H,15,16)(H,17,18);2*1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 443.43 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-[4-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetyl]piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 3063101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).