7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole

C16H21FN2S — CID 145352015

IUPAC7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole
SMILESCCC1=C(SC)C(C2CC3C(C2)C3(C)F)n2cncc21
InChIInChI=1S/C16H21FN2S/c1-4-10-13-7-18-8-19(13)14(15(10)20-3)9-5-11-12(6-9)16(11,2)17/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyBSWNGLXJMMHCCW-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.31
Rot. Bonds3

About 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole

7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole (PubChem CID 145352015) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole
PubChem CID145352015
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC Name7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole
SMILESCCC1=C(SC)C(C2CC3C(C2)C3(C)F)n2cncc21
InChIInChI=1S/C16H21FN2S/c1-4-10-13-7-18-8-19(13)14(15(10)20-3)9-5-11-12(6-9)16(11,2)17/h7-9,11-12,14H,4-6H2,1-3H3
InChIKeyBSWNGLXJMMHCCW-UHFFFAOYSA-N
XLogP4.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole (CID 145352015) is 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole is CCC1=C(SC)C(C2CC3C(C2)C3(C)F)n2cncc21.
What is the InChIKey of 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is BSWNGLXJMMHCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-4-10-13-7-18-8-19(13)14(15(10)20-3)9-5-11-12(6-9)16(11,2)17/h7-9,11-12,14H,4-6H2,1-3H3.
What are the key properties of 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole?
7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 292.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-(6-fluoro-6-methyl-3-bicyclo[3.1.0]hexanyl)-6-methylsulfanyl-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 145352015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).