6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

C58H44F3N11S — CID 121350147

IUPAC6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESFc1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1
InChIInChI=1S/C20H15FN4.C19H15FN4.C19H14FN3S/c21-15-4-1-3-13(11-15)19-20(25-10-2-5-18(25)24-19)14-6-7-16-17(12-14)23-9-8-22-16;20-15-4-1-3-12(9-15)18-19(24-8-2-5-17(24)22-18)13-6-7-14-11-21-23-16(14)10-13;20-14-4-1-3-12(9-14)18-19(23-8-2-5-17(23)22-18)13-6-7-15-16(10-13)24-11-21-15/h1,3-4,6-9,11-12H,2,5,10H2;1,3-4,6-7,9-11H,2,5,8H2,(H,21,23);1,3-4,6-7,9-11H,2,5,8H2
InChIKeyYFCKUBUFOJDDQX-UHFFFAOYSA-N
MW984.13 g/mol
LogP13.34
Rot. Bonds6

About 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline

6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (PubChem CID 121350147) has the molecular formula C58H44F3N11S and a molecular weight of 984.13 g/mol. Its IUPAC name is 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
PubChem CID121350147
Molecular FormulaC58H44F3N11S
Molecular Weight984.13 g/mol
Exact Mass983.35
IUPAC Name6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
SMILESFc1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1
InChIInChI=1S/C20H15FN4.C19H15FN4.C19H14FN3S/c21-15-4-1-3-13(11-15)19-20(25-10-2-5-18(25)24-19)14-6-7-16-17(12-14)23-9-8-22-16;20-15-4-1-3-12(9-15)18-19(24-8-2-5-17(24)22-18)13-6-7-14-11-21-23-16(14)10-13;20-14-4-1-3-12(9-14)18-19(23-8-2-5-17(23)22-18)13-6-7-15-16(10-13)24-11-21-15/h1,3-4,6-9,11-12H,2,5,10H2;1,3-4,6-7,9-11H,2,5,8H2,(H,21,23);1,3-4,6-7,9-11H,2,5,8H2
InChIKeyYFCKUBUFOJDDQX-UHFFFAOYSA-N
XLogP13.34
TPSA120.81 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500984.13
LogP ≤ 513.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline with MolForge

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Related Compounds

6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121350148
5-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole
CID 121350298
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole
CID 121358920
6-[2-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole
CID 121358918
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-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121358921
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline
CID 121350047
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-[4-(3-fluorophenyl)-1H-imidazol-5-yl]-1H-indazole
CID 122510621
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]quinoline
CID 121349974
6-[2-(3-fluorophenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline
CID 122590004

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The IUPAC name of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline (CID 121350147) is 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline.
What is the SMILES notation for 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The canonical SMILES for 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is Fc1cccc(-c2nc3n(c2-c2ccc4cn[nH]c4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)c1.Fc1cccc(-c2nc3n(c2-c2ccc4ncsc4c2)CCC3)c1.
What is the InChIKey of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
The InChIKey is YFCKUBUFOJDDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4.C19H15FN4.C19H14FN3S/c21-15-4-1-3-13(11-15)19-20(25-10-2-5-18(25)24-19)14-6-7-16-17(12-14)23-9-8-22-16;20-15-4-1-3-12(9-15)18-19(24-8-2-5-17(24)22-18)13-6-7-14-11-21-23-16(14)10-13;20-14-4-1-3-12(9-14)18-19(23-8-2-5-17(23)22-18)13-6-7-15-16(10-13)24-11-21-15/h1,3-4,6-9,11-12H,2,5,10H2;1,3-4,6-7,9-11H,2,5,8H2,(H,21,23);1,3-4,6-7,9-11H,2,5,8H2.
What are the key properties of 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline?
6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline has a molecular weight of 984.13 g/mol, XLogP of 13.34, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-1H-indazole;6-[2-(3-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]quinoxaline is sourced from PubChem (CID 121350147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).