4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

C106H92Br4F4N24 — CID 159228957

About 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine

4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (PubChem CID 159228957) has the molecular formula C106H92Br4F4N24 and a molecular weight of 2097.68 g/mol. Its IUPAC name is 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• PubChem CID: 159228957
• Molecular Formula: C106H92Br4F4N24
• Molecular Weight: 2097.68 g/mol
• Exact Mass: 2092.46
• IUPAC Name: 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine
• SMILES: CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1
• InChI: InChI=1S/C28H26BrFN6.C27H24BrFN6.C26H22BrFN6.C25H20BrFN6/c1-2-13-31-28-32-14-11-23(33-28)27-26(19-4-7-21(30)8-5-19)34-25-10-9-22(36(25)27)17-35-15-12-18-3-6-20(29)16-24(18)35;1-2-30-27-31-13-11-22(32-27)26-25(18-4-7-20(29)8-5-18)33-24-10-9-21(35(24)26)16-34-14-12-17-3-6-19(28)15-23(17)34;1-29-26-30-12-10-21(31-26)25-24(17-3-6-19(28)7-4-17)32-23-9-8-20(34(23)25)15-33-13-11-16-2-5-18(27)14-22(16)33;26-17-4-1-15-10-12-32(21(15)13-17)14-19-7-8-22-31-23(16-2-5-18(27)6-3-16)24(33(19)22)20-9-11-29-25(28)30-20/h3-8,11-12,14-16,22H,2,9-10,13,17H2,1H3,(H,31,32,33);3-8,11-15,21H,2,9-10,16H2,1H3,(H,30,31,32);2-7,10-14,20H,8-9,15H2,1H3,(H,29,30,31);1-6,9-13,19H,7-8,14H2,(H2,28,29,30)
• InChIKey: KSQNFKJFOHKHLY-UHFFFAOYSA-N
• XLogP: 25.08
• TPSA: 256.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2097.68
LogP ≤ 5	25.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The IUPAC name of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine (CID 159228957) is 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.CNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.Nc1nccc(-c2c(-c3ccc(F)cc3)nc3n2C(Cn2ccc4ccc(Br)cc42)CC3)n1.

What is the InChIKey of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

The InChIKey is KSQNFKJFOHKHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrFN6.C27H24BrFN6.C26H22BrFN6.C25H20BrFN6/c1-2-13-31-28-32-14-11-23(33-28)27-26(19-4-7-21(30)8-5-19)34-25-10-9-22(36(25)27)17-35-15-12-18-3-6-20(29)16-24(18)35;1-2-30-27-31-13-11-22(32-27)26-25(18-4-7-20(29)8-5-18)33-24-10-9-21(35(24)26)16-34-14-12-17-3-6-19(28)15-23(17)34;1-29-26-30-12-10-21(31-26)25-24(17-3-6-19(28)7-4-17)32-23-9-8-20(34(23)25)15-33-13-11-16-2-5-18(27)14-22(16)33;26-17-4-1-15-10-12-32(21(15)13-17)14-19-7-8-22-31-23(16-2-5-18(27)6-3-16)24(33(19)22)20-9-11-29-25(28)30-20/h3-8,11-12,14-16,22H,2,9-10,13,17H2,1H3,(H,31,32,33);3-8,11-15,21H,2,9-10,16H2,1H3,(H,30,31,32);2-7,10-14,20H,8-9,15H2,1H3,(H,29,30,31);1-6,9-13,19H,7-8,14H2,(H2,28,29,30).

What are the key properties of 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine?

4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine has a molecular weight of 2097.68 g/mol, XLogP of 25.08, 22 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-methylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-propylpyrimidin-2-amine;4-[5-[(6-bromoindol-1-yl)methyl]-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 159228957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).