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

C19H12F3N3S — CID 121349963

IUPAC2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
SMILESFc1cc(F)c(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1F
InChIInChI=1S/C19H12F3N3S/c20-12-8-14(22)13(21)7-11(12)18-19(25-5-1-2-17(25)24-18)16-6-10-9-23-4-3-15(10)26-16/h3-4,6-9H,1-2,5H2
InChIKeyBKPGRRVBGFDNTH-UHFFFAOYSA-N
MW371.39 g/mol
LogP5.19
Rot. Bonds2

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

2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine (PubChem CID 121349963) has the molecular formula C19H12F3N3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
PubChem CID121349963
Molecular FormulaC19H12F3N3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine
SMILESFc1cc(F)c(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1F
InChIInChI=1S/C19H12F3N3S/c20-12-8-14(22)13(21)7-11(12)18-19(25-5-1-2-17(25)24-18)16-6-10-9-23-4-3-15(10)26-16/h3-4,6-9H,1-2,5H2
InChIKeyBKPGRRVBGFDNTH-UHFFFAOYSA-N
XLogP5.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.39
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The IUPAC name of 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine (CID 121349963) is 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine.
What is the SMILES notation for 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The canonical SMILES for 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine is Fc1cc(F)c(-c2nc3n(c2-c2cc4cnccc4s2)CCC3)cc1F.
What is the InChIKey of 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
The InChIKey is BKPGRRVBGFDNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3S/c20-12-8-14(22)13(21)7-11(12)18-19(25-5-1-2-17(25)24-18)16-6-10-9-23-4-3-15(10)26-16/h3-4,6-9H,1-2,5H2.
What are the key properties of 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine?
2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine has a molecular weight of 371.39 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]thieno[3,2-c]pyridine is sourced from PubChem (CID 121349963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).