2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide

C15H31BrN2S — CID 47003003

IUPAC2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCSC1=NCCN1
InChIInChI=1S/C15H30N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-16-12-13-17-15;/h2-14H2,1H3,(H,16,17);1H
InChIKeyWBNSBJIHYUADSW-UHFFFAOYSA-N
MW351.40 g/mol
LogP5.18
Rot. Bonds11

About 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide

2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 47003003) has the molecular formula C15H31BrN2S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID47003003
Molecular FormulaC15H31BrN2S
Molecular Weight351.40 g/mol
Exact Mass350.14
IUPAC Name2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCSC1=NCCN1
InChIInChI=1S/C15H30N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-16-12-13-17-15;/h2-14H2,1H3,(H,16,17);1H
InChIKeyWBNSBJIHYUADSW-UHFFFAOYSA-N
XLogP5.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium;bromide;hydrobromide
CID 138399206
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
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2-(2-methylsulfanylethylsulfanyl)-1,4,5,6-tetrahydropyrimidine
CID 131223239
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride
CID 19882735
2-methylsulfanyl-4,5-dihydro-1H-imidazole;sulfane
CID 143157442
N,N-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanamine;dihydrochloride
CID 23619328
2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
2-methylsulfanyl-4,5-dihydro-1H-imidazole;hydrochloride;hydroiodide
CID 172744713
2-[[2-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 51062702

Frequently Asked Questions

What is the IUPAC name of 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (CID 47003003) is 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is Br.CCCCCCCCCCCCSC1=NCCN1.
What is the InChIKey of 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is WBNSBJIHYUADSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-16-12-13-17-15;/h2-14H2,1H3,(H,16,17);1H.
What are the key properties of 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 351.40 g/mol, XLogP of 5.18, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 47003003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).