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

C21H19FN4 — CID 121350131

IUPAC6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)c(C)cc1F
InChIInChI=1S/C21H19FN4/c1-13-11-17(22)14(2)10-16(13)20-21(26-8-3-4-19(26)24-20)15-5-6-18-23-7-9-25(18)12-15/h5-7,9-12H,3-4,8H2,1-2H3
InChIKeyRAENRPFCRRJERV-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.57
Rot. Bonds2

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

6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 121350131) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
PubChem CID121350131
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)c(C)cc1F
InChIInChI=1S/C21H19FN4/c1-13-11-17(22)14(2)10-16(13)20-21(26-8-3-4-19(26)24-20)15-5-6-18-23-7-9-25(18)12-15/h5-7,9-12H,3-4,8H2,1-2H3
InChIKeyRAENRPFCRRJERV-UHFFFAOYSA-N
XLogP4.57
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine (CID 121350131) is 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine is Cc1cc(-c2nc3n(c2-c2ccc4nccn4c2)CCC3)c(C)cc1F.
What is the InChIKey of 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is RAENRPFCRRJERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c1-13-11-17(22)14(2)10-16(13)20-21(26-8-3-4-19(26)24-20)15-5-6-18-23-7-9-25(18)12-15/h5-7,9-12H,3-4,8H2,1-2H3.
What are the key properties of 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine?
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 346.41 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 121350131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).