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

C21H15F2N3 — CID 121349972

IUPAC6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1
InChIInChI=1S/C21H15F2N3/c22-15-6-7-16(17(23)12-15)20-21(26-10-2-4-19(26)25-20)14-5-8-18-13(11-14)3-1-9-24-18/h1,3,5-9,11-12H,2,4,10H2
InChIKeyZFAKJUGACCJHKS-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.99
Rot. Bonds2

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

6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (PubChem CID 121349972) has the molecular formula C21H15F2N3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
PubChem CID121349972
Molecular FormulaC21H15F2N3
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1
InChIInChI=1S/C21H15F2N3/c22-15-6-7-16(17(23)12-15)20-21(26-10-2-4-19(26)25-20)14-5-8-18-13(11-14)3-1-9-24-18/h1,3,5-9,11-12H,2,4,10H2
InChIKeyZFAKJUGACCJHKS-UHFFFAOYSA-N
XLogP4.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The IUPAC name of 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (CID 121349972) is 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is Fc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The InChIKey is ZFAKJUGACCJHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3/c22-15-6-7-16(17(23)12-15)20-21(26-10-2-4-19(26)25-20)14-5-8-18-13(11-14)3-1-9-24-18/h1,3,5-9,11-12H,2,4,10H2.
What are the key properties of 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline has a molecular weight of 347.37 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is sourced from PubChem (CID 121349972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).