2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C7H10N2S — CID 3080453

IUPAC2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCSc1cn2c(n1)CCC2
InChIInChI=1S/C7H10N2S/c1-10-7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKeyIAJNOLWBMLKERM-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.55
Rot. Bonds1

About 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 3080453) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID3080453
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCSc1cn2c(n1)CCC2
InChIInChI=1S/C7H10N2S/c1-10-7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKeyIAJNOLWBMLKERM-UHFFFAOYSA-N
XLogP1.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5H-Pyrrolo(1,2-a)imidazolium, 6,7-dihydro-1-methyl-2-(methylthio)-, iodide
CID 659020
ethyl 2-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-ylsulfanyl)acetate
CID 765799
5H-Pyrrolo(1,2-a)imidazole-2-thiol, 6,7-dihydro-
CID 3080452
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylsulfinyl)-
CID 3080454
5H-Pyrrolo(1,2-a)imidazole, 6,7-dihydro-2-(methylsulfonyl)-
CID 3080455
1,2-Dimethyl-5-methylsulfanyl-1h-imidazole
CID 10844489
2,3-Dihydro-imidazo[2,1-b]thiazole
CID 12397493
Imidazo [5,1-b]thiazoline
CID 68400206
1-methyl-2-(methylsulfanyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 659021
1-Methyl-2-propan-2-yl-5-(trifluoromethylsulfanyl)imidazole
CID 144946164
2-Ethyl-1-methyl-4-(trifluoromethylsulfanyl)imidazole
CID 144946193
ST50983544
CID 3266083

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 3080453) is 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is CSc1cn2c(n1)CCC2.
What is the InChIKey of 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is IAJNOLWBMLKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-10-7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3.
What are the key properties of 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 154.24 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 3080453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).