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

C21H17F2N3 — CID 159684107

IUPAC5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1c(F)ccc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)c1F
InChIInChI=1S/C21H17F2N3/c1-12-17(22)7-6-16(19(12)23)20-21(26-8-2-3-18(26)25-20)13-4-5-14-10-24-11-15(14)9-13/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyMVOMJUZEECPEMU-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.68
Rot. Bonds2

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

5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 159684107) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID159684107
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC Name5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESCc1c(F)ccc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)c1F
InChIInChI=1S/C21H17F2N3/c1-12-17(22)7-6-16(19(12)23)20-21(26-8-2-3-18(26)25-20)13-4-5-14-10-24-11-15(14)9-13/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyMVOMJUZEECPEMU-UHFFFAOYSA-N
XLogP4.68
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 159684107) is 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Cc1c(F)ccc(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)c1F.
What is the InChIKey of 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is MVOMJUZEECPEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c1-12-17(22)7-6-16(19(12)23)20-21(26-8-2-3-18(26)25-20)13-4-5-14-10-24-11-15(14)9-13/h4-7,9,11H,2-3,8,10H2,1H3.
What are the key properties of 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 349.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 159684107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).