2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide

C80H88B2Br5F3N12O14 — CID 160774906

About 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide

2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 160774906) has the molecular formula C80H88B2Br5F3N12O14 and a molecular weight of 1919.79 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide
• PubChem CID: 160774906
• Molecular Formula: C80H88B2Br5F3N12O14
• Molecular Weight: 1919.79 g/mol
• Exact Mass: 1914.26
• IUPAC Name: 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide
• SMILES: Brc1cn2c(n1)CCC2.COC(=O)CBr.COC(=O)CN1CCCC1=O.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.NC(=O)CN1CCCC1=O.O=C1CCCC1.OB(O)c1cccc(Br)c1F
• InChI: InChI=1S/C23H22BN3O4.2C12H10BrFN2.C7H11NO3.C6H5BBrFO2.C6H7BrN2.C6H10N2O2.C5H8O.C3H5BrO2/c1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*13-9-4-1-3-8(12(9)14)10-7-16-6-2-5-11(16)15-10;1-11-7(10)5-8-4-2-3-6(8)9;8-5-3-1-2-4(6(5)9)7(10)11;7-5-4-9-3-1-2-6(9)8-5;7-5(9)4-8-3-1-2-6(8)10;6-5-3-1-2-4-5;1-6-3(5)2-4/h2-13,26,29-30H,14-15H2,1H3;2*1,3-4,7H,2,5-6H2;2-5H2,1H3;1-3,10-11H;4H,1-3H2;1-4H2,(H2,7,9);1-4H2;2H2,1H3
• InChIKey: RZUXAAJMIMWOIT-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 345.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1919.79
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide?

The IUPAC name of 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide (CID 160774906) is 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide.

What is the SMILES notation for 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide?

The canonical SMILES for 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide is Brc1cn2c(n1)CCC2.COC(=O)CBr.COC(=O)CN1CCCC1=O.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.Fc1c(Br)cccc1-c1cn2c(n1)CCC2.NC(=O)CN1CCCC1=O.O=C1CCCC1.OB(O)c1cccc(Br)c1F.

What is the InChIKey of 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide?

The InChIKey is RZUXAAJMIMWOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BN3O4.2C12H10BrFN2.C7H11NO3.C6H5BBrFO2.C6H7BrN2.C6H10N2O2.C5H8O.C3H5BrO2/c1-31-23(28)19-13-25-22(21-18(19)12-20(26-21)24(29)30)27(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*13-9-4-1-3-8(12(9)14)10-7-16-6-2-5-11(16)15-10;1-11-7(10)5-8-4-2-3-6(8)9;8-5-3-1-2-4(6(5)9)7(10)11;7-5-4-9-3-1-2-6(9)8-5;7-5(9)4-8-3-1-2-6(8)10;6-5-3-1-2-4-5;1-6-3(5)2-4/h2-13,26,29-30H,14-15H2,1H3;2*1,3-4,7H,2,5-6H2;2-5H2,1H3;1-3,10-11H;4H,1-3H2;1-4H2,(H2,7,9);1-4H2;2H2,1H3.

What are the key properties of 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide?

2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 1919.79 g/mol, XLogP of 11.45, 15 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;(3-bromo-2-fluorophenyl)boronic acid;bis(2-(3-bromo-2-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole);cyclopentanone;[7-(dibenzylamino)-4-methoxycarbonyl-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;methyl 2-bromoacetate;methyl 2-(2-oxopyrrolidin-1-yl)acetate;2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 160774906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).