2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide

C11H21BrN4S2 — CID 54603791

IUPAC2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C(CCSC1=NCCN1)CCSC1=NCCN1
InChIInChI=1S/C11H20N4S2.BrH/c1(2-8-16-10-12-4-5-13-10)3-9-17-11-14-6-7-15-11;/h1-9H2,(H,12,13)(H,14,15);1H
InChIKeyFPFVCMVEYMMMOO-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.12
Rot. Bonds6

About 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide

2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 54603791) has the molecular formula C11H21BrN4S2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID54603791
Molecular FormulaC11H21BrN4S2
Molecular Weight353.36 g/mol
Exact Mass352.04
IUPAC Name2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C(CCSC1=NCCN1)CCSC1=NCCN1
InChIInChI=1S/C11H20N4S2.BrH/c1(2-8-16-10-12-4-5-13-10)3-9-17-11-14-6-7-15-11;/h1-9H2,(H,12,13)(H,14,15);1H
InChIKeyFPFVCMVEYMMMOO-UHFFFAOYSA-N
XLogP2.12
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (CID 54603791) is 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is Br.C(CCSC1=NCCN1)CCSC1=NCCN1.
What is the InChIKey of 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is FPFVCMVEYMMMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2.BrH/c1(2-8-16-10-12-4-5-13-10)3-9-17-11-14-6-7-15-11;/h1-9H2,(H,12,13)(H,14,15);1H.
What are the key properties of 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 353.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)pentylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 54603791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).