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

C22H17F2N3 — CID 121349952

IUPAC6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESCc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1F
InChIInChI=1S/C22H17F2N3/c1-13-6-8-16(20(24)19(13)23)21-22(27-11-3-5-18(27)26-21)15-7-9-17-14(12-15)4-2-10-25-17/h2,4,6-10,12H,3,5,11H2,1H3
InChIKeyJTWHDDWBSDHCCV-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.30
Rot. Bonds2

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

6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (PubChem CID 121349952) has the molecular formula C22H17F2N3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.

Molecular Properties

Compound Name6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
PubChem CID121349952
Molecular FormulaC22H17F2N3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESCc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1F
InChIInChI=1S/C22H17F2N3/c1-13-6-8-16(20(24)19(13)23)21-22(27-11-3-5-18(27)26-21)15-7-9-17-14(12-15)4-2-10-25-17/h2,4,6-10,12H,3,5,11H2,1H3
InChIKeyJTWHDDWBSDHCCV-UHFFFAOYSA-N
XLogP5.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The IUPAC name of 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (CID 121349952) is 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.
What is the SMILES notation for 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The canonical SMILES for 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is Cc1ccc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)c1F.
What is the InChIKey of 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The InChIKey is JTWHDDWBSDHCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3/c1-13-6-8-16(20(24)19(13)23)21-22(27-11-3-5-18(27)26-21)15-7-9-17-14(12-15)4-2-10-25-17/h2,4,6-10,12H,3,5,11H2,1H3.
What are the key properties of 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline has a molecular weight of 361.40 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is sourced from PubChem (CID 121349952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).