5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole

C7H12N2S — CID 121472719

IUPAC5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=NCC(C2CC2)N1
InChIInChI=1S/C7H12N2S/c1-10-7-8-4-6(9-7)5-2-3-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyWSUUHRWOFMRNEZ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.09
Rot. Bonds1

About 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole

5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 121472719) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID121472719
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=NCC(C2CC2)N1
InChIInChI=1S/C7H12N2S/c1-10-7-8-4-6(9-7)5-2-3-5/h5-6H,2-4H2,1H3,(H,8,9)
InChIKeyWSUUHRWOFMRNEZ-UHFFFAOYSA-N
XLogP1.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole (CID 121472719) is 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole is CSC1=NCC(C2CC2)N1.
What is the InChIKey of 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is WSUUHRWOFMRNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-10-7-8-4-6(9-7)5-2-3-5/h5-6H,2-4H2,1H3,(H,8,9).
What are the key properties of 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 156.25 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 121472719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).