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

C19H14F2N4 — CID 121349978

IUPAC6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)cc1F
InChIInChI=1S/C19H14F2N4/c20-14-5-3-12(10-15(14)21)18-19(25-8-1-2-17(25)23-18)13-4-6-16-22-7-9-24(16)11-13/h3-7,9-11H,1-2,8H2
InChIKeyAXIWZLJISIGCPF-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.09
Rot. Bonds2

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

6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 121349978) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID121349978
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
SMILESFc1ccc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)cc1F
InChIInChI=1S/C19H14F2N4/c20-14-5-3-12(10-15(14)21)18-19(25-8-1-2-17(25)23-18)13-4-6-16-22-7-9-24(16)11-13/h3-7,9-11H,1-2,8H2
InChIKeyAXIWZLJISIGCPF-UHFFFAOYSA-N
XLogP4.09
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine (CID 121349978) is 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine is Fc1ccc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)cc1F.
What is the InChIKey of 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is AXIWZLJISIGCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c20-14-5-3-12(10-15(14)21)18-19(25-8-1-2-17(25)23-18)13-4-6-16-22-7-9-24(16)11-13/h3-7,9-11H,1-2,8H2.
What are the key properties of 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 336.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 121349978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).