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

C22H17F2N3 — CID 121349965

IUPAC6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESCc1cc(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)cc1F
InChIInChI=1S/C22H17F2N3/c1-13-10-18(24)16(12-17(13)23)21-22(27-9-3-5-20(27)26-21)15-6-7-19-14(11-15)4-2-8-25-19/h2,4,6-8,10-12H,3,5,9H2,1H3
InChIKeySKYZWZJOWDCQGS-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.30
Rot. Bonds2

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

6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (PubChem CID 121349965) has the molecular formula C22H17F2N3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.

Molecular Properties

Compound Name6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
PubChem CID121349965
Molecular FormulaC22H17F2N3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESCc1cc(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)cc1F
InChIInChI=1S/C22H17F2N3/c1-13-10-18(24)16(12-17(13)23)21-22(27-9-3-5-20(27)26-21)15-6-7-19-14(11-15)4-2-8-25-19/h2,4,6-8,10-12H,3,5,9H2,1H3
InChIKeySKYZWZJOWDCQGS-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-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The IUPAC name of 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (CID 121349965) is 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.
What is the SMILES notation for 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The canonical SMILES for 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is Cc1cc(F)c(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)cc1F.
What is the InChIKey of 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The InChIKey is SKYZWZJOWDCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3/c1-13-10-18(24)16(12-17(13)23)21-22(27-9-3-5-20(27)26-21)15-6-7-19-14(11-15)4-2-8-25-19/h2,4,6-8,10-12H,3,5,9H2,1H3.
What are the key properties of 6-[2-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
6-[2-(2,5-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-(2,5-difluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is sourced from PubChem (CID 121349965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).