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

C10H19BrN4S2 — CID 54602983

IUPAC2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C(CCSC1=NCCN1)CSC1=NCCN1
InChIInChI=1S/C10H18N4S2.BrH/c1(7-15-9-11-3-4-12-9)2-8-16-10-13-5-6-14-10;/h1-8H2,(H,11,12)(H,13,14);1H
InChIKeyVGOXOBKGWQPCAK-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.73
Rot. Bonds5

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

2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 54602983) has the molecular formula C10H19BrN4S2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID54602983
Molecular FormulaC10H19BrN4S2
Molecular Weight339.33 g/mol
Exact Mass338.02
IUPAC Name2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C(CCSC1=NCCN1)CSC1=NCCN1
InChIInChI=1S/C10H18N4S2.BrH/c1(7-15-9-11-3-4-12-9)2-8-16-10-13-5-6-14-10;/h1-8H2,(H,11,12)(H,13,14);1H
InChIKeyVGOXOBKGWQPCAK-UHFFFAOYSA-N
XLogP1.73
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.73
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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Related Compounds

2-Imidazoline, 2-(3-aminopropylthio)-, dihydrobromide
CID 20916
2-Imidazoline, 2-(3-trimethylaminopropylthio)-, dihydrobromide
CID 22744
1,2-Ethanediamine, N-(4,5-dihydro-2-thiazolyl)-, monohydrobromide
CID 216948
N,N'-(Ethane-1,2-diyl)bis(5-methyl-1,3-thiazolidin-2-imine)--hydrogen chloride (1/2)
CID 3086768
1,2-Ethanediamine, N,N'-bis(5-(bromomethyl)-4,5-dihydro-2-thiazolyl)-, dihydrobromide
CID 3086774
1,4-Bis(2-imidazolin-2-thio)butane dihydrobromide
CID 45049569
diethylcarbamodithioic acid; 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole
CID 54607870
N,N'-bis(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 2968039
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propan-1-amine
CID 20917
2-Imidazoline,2'-(trimethylenedithio)di-, dihydrobromide
CID 54605061
2-butylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
CID 19240297
2-(Butylsulfanyl)-4,5-dihydro-1H-imidazole
CID 436971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide (CID 54602983) is 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is Br.C(CCSC1=NCCN1)CSC1=NCCN1.
What is the InChIKey of 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is VGOXOBKGWQPCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2.BrH/c1(7-15-9-11-3-4-12-9)2-8-16-10-13-5-6-14-10;/h1-8H2,(H,11,12)(H,13,14);1H.
What are the key properties of 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide?
2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 339.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 54602983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).