1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine

C120H125Br3Cl10F3N19O4 — CID 158525720

About 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine

1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine (PubChem CID 158525720) has the molecular formula C120H125Br3Cl10F3N19O4 and a molecular weight of 2548.68 g/mol. Its IUPAC name is 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine.

Molecular Properties

• Compound Name: 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine
• PubChem CID: 158525720
• Molecular Formula: C120H125Br3Cl10F3N19O4
• Molecular Weight: 2548.68 g/mol
• Exact Mass: 2539.45
• IUPAC Name: 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine
• SMILES: Brc1cccc(Br)c1/C=N/CC1=NCCC1.CC(C1=NCCC1)c1c(Cl)cccc1Cl.Cc1cccc(C)c1/C=N/CC1=NCCC1.Clc1ccc(/C=N/CC2=NCCC2)cc1Cl.Clc1cccc(Cl)c1CC1=NCCC1.Clc1cccc(Cl)c1CC1=NCCC1.Fc1cccc(Cl)c1/C=N/CC1=NCCC1.Fc1cccc(F)c1/C=N/CC1=NCCC1.O=[N+]([O-])c1cccc(Br)c1/C=N/CC1=NCCC1.O=[N+]([O-])c1cccc(Cl)c1/C=N/CC1=NCCC1
• InChI: InChI=1S/C14H18N2.C12H12Br2N2.C12H12BrN3O2.C12H12Cl2N2.C12H13Cl2N.C12H12ClFN2.C12H12ClN3O2.C12H12F2N2.2C11H11Cl2N/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;13-11-4-1-5-12(16(17)18)10(11)8-14-7-9-3-2-6-15-9;13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10;1-8(11-6-3-7-15-11)12-9(13)4-2-5-10(12)14;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;13-11-4-1-5-12(16(17)18)10(11)8-14-7-9-3-2-6-15-9;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;2*12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8/h3,5-6,10H,4,7-9H2,1-2H3;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;3-4,6-7H,1-2,5,8H2;2,4-5,8H,3,6-7H2,1H3;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;2*1,4-5H,2-3,6-7H2/b15-10+;15-8+;14-8+;15-7+;;15-8+;14-8+;15-8+
• InChIKey: HMTJNLOVSCNIIA-PASGJLEJSA-N
• XLogP: 34.01
• TPSA: 296.40 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 29
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2548.68
LogP ≤ 5	34.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine?

The IUPAC name of 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine (CID 158525720) is 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine.

What is the SMILES notation for 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine?

The canonical SMILES for 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine is Brc1cccc(Br)c1/C=N/CC1=NCCC1.CC(C1=NCCC1)c1c(Cl)cccc1Cl.Cc1cccc(C)c1/C=N/CC1=NCCC1.Clc1ccc(/C=N/CC2=NCCC2)cc1Cl.Clc1cccc(Cl)c1CC1=NCCC1.Clc1cccc(Cl)c1CC1=NCCC1.Fc1cccc(Cl)c1/C=N/CC1=NCCC1.Fc1cccc(F)c1/C=N/CC1=NCCC1.O=[N+]([O-])c1cccc(Br)c1/C=N/CC1=NCCC1.O=[N+]([O-])c1cccc(Cl)c1/C=N/CC1=NCCC1.

What is the InChIKey of 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine?

The InChIKey is HMTJNLOVSCNIIA-PASGJLEJSA-N. The full InChI is InChI=1S/C14H18N2.C12H12Br2N2.C12H12BrN3O2.C12H12Cl2N2.C12H13Cl2N.C12H12ClFN2.C12H12ClN3O2.C12H12F2N2.2C11H11Cl2N/c1-11-5-3-6-12(2)14(11)10-15-9-13-7-4-8-16-13;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;13-11-4-1-5-12(16(17)18)10(11)8-14-7-9-3-2-6-15-9;13-11-4-3-9(6-12(11)14)7-15-8-10-2-1-5-16-10;1-8(11-6-3-7-15-11)12-9(13)4-2-5-10(12)14;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;13-11-4-1-5-12(16(17)18)10(11)8-14-7-9-3-2-6-15-9;13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9;2*12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8/h3,5-6,10H,4,7-9H2,1-2H3;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;3-4,6-7H,1-2,5,8H2;2,4-5,8H,3,6-7H2,1H3;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;1,4-5,8H,2-3,6-7H2;2*1,4-5H,2-3,6-7H2/b15-10+;15-8+;14-8+;15-7+;;15-8+;14-8+;15-8+;;.

What are the key properties of 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine?

1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine has a molecular weight of 2548.68 g/mol, XLogP of 34.01, 29 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromo-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-fluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2-chloro-6-nitrophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(2,6-dibromophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;1-(3,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;5-[1-(2,6-dichlorophenyl)ethyl]-3,4-dihydro-2H-pyrrole;bis(5-[(2,6-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrrole);1-(2,6-difluorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)methanimine;N-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-1-(2,6-dimethylphenyl)methanimine is sourced from PubChem (CID 158525720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).