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

C9H17BrN2S — CID 19240300

IUPAC2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C1CCC(SC2=NCCN2)CC1
InChIInChI=1S/C9H16N2S.BrH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h8H,1-7H2,(H,10,11);1H
InChIKeyKLHNTIKNYJCHIQ-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.59
Rot. Bonds1

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

2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 19240300) has the molecular formula C9H17BrN2S and a molecular weight of 265.22 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID19240300
Molecular FormulaC9H17BrN2S
Molecular Weight265.22 g/mol
Exact Mass264.03
IUPAC Name2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C1CCC(SC2=NCCN2)CC1
InChIInChI=1S/C9H16N2S.BrH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h8H,1-7H2,(H,10,11);1H
InChIKeyKLHNTIKNYJCHIQ-UHFFFAOYSA-N
XLogP2.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (CID 19240300) is 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is Br.C1CCC(SC2=NCCN2)CC1.
What is the InChIKey of 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is KLHNTIKNYJCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S.BrH/c1-2-4-8(5-3-1)12-9-10-6-7-11-9;/h8H,1-7H2,(H,10,11);1H.
What are the key properties of 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 265.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 19240300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).