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

C20H14ClF2N3 — CID 159862721

IUPAC5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1cc(Cl)c(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc1F
InChIInChI=1S/C20H14ClF2N3/c21-15-8-17(23)16(22)7-14(15)19-20(26-5-1-2-18(26)25-19)11-3-4-12-9-24-10-13(12)6-11/h3-4,6-8,10H,1-2,5,9H2
InChIKeyNRIUGVMNLWGUEL-UHFFFAOYSA-N
MW369.80 g/mol
LogP5.03
Rot. Bonds2

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

5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (PubChem CID 159862721) has the molecular formula C20H14ClF2N3 and a molecular weight of 369.80 g/mol. Its IUPAC name is 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.

Molecular Properties

Compound Name5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
PubChem CID159862721
Molecular FormulaC20H14ClF2N3
Molecular Weight369.80 g/mol
Exact Mass369.08
IUPAC Name5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
SMILESFc1cc(Cl)c(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc1F
InChIInChI=1S/C20H14ClF2N3/c21-15-8-17(23)16(22)7-14(15)19-20(26-5-1-2-18(26)25-19)11-3-4-12-9-24-10-13(12)6-11/h3-4,6-8,10H,1-2,5,9H2
InChIKeyNRIUGVMNLWGUEL-UHFFFAOYSA-N
XLogP5.03
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.80
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[2-(5-chloro-4-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
CID 160785048
5-[2-(3-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
CID 161278629
6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350181
6-[2-(2-chloro-4-fluoro-5-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350167
6-[2-(2-chloro-4-fluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350286
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350047
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121349974
6-[2-(2,4-difluoro-3-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
CID 121350205
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 121350087
6-[2-(3,4-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121349978
6-[2-(3,4,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121349966
5-[2-(4-fluoro-2,3-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;molecular hydrogen
CID 145086204

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The IUPAC name of 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole (CID 159862721) is 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole.
What is the SMILES notation for 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The canonical SMILES for 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is Fc1cc(Cl)c(-c2nc3n(c2-c2ccc4c(c2)C=NC4)CCC3)cc1F.
What is the InChIKey of 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
The InChIKey is NRIUGVMNLWGUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3/c21-15-8-17(23)16(22)7-14(15)19-20(26-5-1-2-18(26)25-19)11-3-4-12-9-24-10-13(12)6-11/h3-4,6-8,10H,1-2,5,9H2.
What are the key properties of 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole?
5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole has a molecular weight of 369.80 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole is sourced from PubChem (CID 159862721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).