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

C21H14ClF2N3 — CID 121350181

IUPAC6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1cc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)cc1Cl
InChIInChI=1S/C21H14ClF2N3/c22-15-11-16(23)14(10-17(15)24)20-21(27-8-2-4-19(27)26-20)13-5-6-18-12(9-13)3-1-7-25-18/h1,3,5-7,9-11H,2,4,8H2
InChIKeyCCMCKIUYHARVHM-UHFFFAOYSA-N
MW381.81 g/mol
LogP5.64
Rot. Bonds2

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

6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (PubChem CID 121350181) has the molecular formula C21H14ClF2N3 and a molecular weight of 381.81 g/mol. Its IUPAC name is 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.

Molecular Properties

Compound Name6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
PubChem CID121350181
Molecular FormulaC21H14ClF2N3
Molecular Weight381.81 g/mol
Exact Mass381.08
IUPAC Name6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline
SMILESFc1cc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)cc1Cl
InChIInChI=1S/C21H14ClF2N3/c22-15-11-16(23)14(10-17(15)24)20-21(27-8-2-4-19(27)26-20)13-5-6-18-12(9-13)3-1-7-25-18/h1,3,5-7,9-11H,2,4,8H2
InChIKeyCCMCKIUYHARVHM-UHFFFAOYSA-N
XLogP5.64
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.81
LogP ≤ 55.64
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

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-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
5-[2-(2-chloro-4,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-isoindole
CID 159862721
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-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121358921
6-[2-(4-fluoro-2,5-dimethylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine
CID 121350131
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
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350148
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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The IUPAC name of 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline (CID 121350181) is 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline.
What is the SMILES notation for 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The canonical SMILES for 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is Fc1cc(-c2nc3n(c2-c2ccc4ncccc4c2)CCC3)c(F)cc1Cl.
What is the InChIKey of 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
The InChIKey is CCMCKIUYHARVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3/c22-15-11-16(23)14(10-17(15)24)20-21(27-8-2-4-19(27)26-20)13-5-6-18-12(9-13)3-1-7-25-18/h1,3,5-7,9-11H,2,4,8H2.
What are the key properties of 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline?
6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline has a molecular weight of 381.81 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoline is sourced from PubChem (CID 121350181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).