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

C8H15BrN2S — CID 19240298

IUPAC2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C1CCC(SC2=NCCN2)C1
InChIInChI=1S/C8H14N2S.BrH/c1-2-4-7(3-1)11-8-9-5-6-10-8;/h7H,1-6H2,(H,9,10);1H
InChIKeyBHODNMVJUPQRTM-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.20
Rot. Bonds1

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

2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (PubChem CID 19240298) has the molecular formula C8H15BrN2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
PubChem CID19240298
Molecular FormulaC8H15BrN2S
Molecular Weight251.19 g/mol
Exact Mass250.01
IUPAC Name2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide
SMILESBr.C1CCC(SC2=NCCN2)C1
InChIInChI=1S/C8H14N2S.BrH/c1-2-4-7(3-1)11-8-9-5-6-10-8;/h7H,1-6H2,(H,9,10);1H
InChIKeyBHODNMVJUPQRTM-UHFFFAOYSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The IUPAC name of 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide (CID 19240298) is 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide.
What is the SMILES notation for 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The canonical SMILES for 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is Br.C1CCC(SC2=NCCN2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
The InChIKey is BHODNMVJUPQRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.BrH/c1-2-4-7(3-1)11-8-9-5-6-10-8;/h7H,1-6H2,(H,9,10);1H.
What are the key properties of 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide?
2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide has a molecular weight of 251.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-4,5-dihydro-1H-imidazole;hydrobromide is sourced from PubChem (CID 19240298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).