2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine

C19H14FN3S — CID 121350268

IUPAC2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
SMILESFc1ccc(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1
InChIInChI=1S/C19H14FN3S/c20-14-5-3-12(4-6-14)18-19(23-9-1-2-17(23)22-18)16-10-13-11-21-8-7-15(13)24-16/h3-8,10-11H,1-2,9H2
InChIKeyOYKYRGHLRDKFLY-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.91
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine

2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine (PubChem CID 121350268) has the molecular formula C19H14FN3S and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
PubChem CID121350268
Molecular FormulaC19H14FN3S
Molecular Weight335.41 g/mol
Exact Mass335.09
IUPAC Name2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
SMILESFc1ccc(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1
InChIInChI=1S/C19H14FN3S/c20-14-5-3-12(4-6-14)18-19(23-9-1-2-17(23)22-18)16-10-13-11-21-8-7-15(13)24-16/h3-8,10-11H,1-2,9H2
InChIKeyOYKYRGHLRDKFLY-UHFFFAOYSA-N
XLogP4.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine (CID 121350268) is 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine is Fc1ccc(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The InChIKey is OYKYRGHLRDKFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-14-5-3-12(4-6-14)18-19(23-9-1-2-17(23)22-18)16-10-13-11-21-8-7-15(13)24-16/h3-8,10-11H,1-2,9H2.
What are the key properties of 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine has a molecular weight of 335.41 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 121350268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).