1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide

C145H163Cl4N21O13 — CID 160977221

About 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide

1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide (PubChem CID 160977221) has the molecular formula C145H163Cl4N21O13 and a molecular weight of 2549.84 g/mol. Its IUPAC name is 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide
• PubChem CID: 160977221
• Molecular Formula: C145H163Cl4N21O13
• Molecular Weight: 2549.84 g/mol
• Exact Mass: 2546.15
• IUPAC Name: 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide
• SMILES: CC(=O)N1CC(CC(=O)CCc2cccc(-c3cn4c(n3)CCC4)c2)C1.CC(=O)N1CCCC(CC(=O)CCc2cccc(-c3cn4c(n3)CCC4)c2)C1.CN1CCN(c2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)CC1.COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)c1.COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)c1.O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1
• InChI: InChI=1S/C26H29Cl2N5O.C25H25Cl2N3O2.C25H28N4O3.C25H27N3O3.C23H29N3O2.C21H25N3O2/c1-31-9-11-32(12-10-31)24-7-5-19(23-17-33-8-2-3-25(33)30-23)15-20(24)16-29-26(34)14-18-4-6-21(27)22(28)13-18;26-20-8-6-16(11-21(20)27)12-25(31)28-14-18-13-17(7-9-23(18)32-19-3-1-4-19)22-15-30-10-2-5-24(30)29-22;1-31-21-5-2-4-19(15-21)25(30)26-16-20-14-18(22-17-29-9-3-6-24(29)27-22)7-8-23(20)28-10-12-32-13-11-28;1-30-21-8-2-5-18(14-21)25(29)26-15-19-13-17(10-11-23(19)31-20-6-3-7-20)22-16-28-12-4-9-24(28)27-22;1-17(27)25-11-3-6-19(15-25)14-21(28)10-9-18-5-2-7-20(13-18)22-16-26-12-4-8-23(26)24-22;1-15(25)24-12-17(13-24)11-19(26)8-7-16-4-2-5-18(10-16)20-14-23-9-3-6-21(23)22-20/h4-7,13,15,17H,2-3,8-12,14,16H2,1H3,(H,29,34);6-9,11,13,15,19H,1-5,10,12,14H2,(H,28,31);2,4-5,7-8,14-15,17H,3,6,9-13,16H2,1H3,(H,26,30);2,5,8,10-11,13-14,16,20H,3-4,6-7,9,12,15H2,1H3,(H,26,29);2,5,7,13,16,19H,3-4,6,8-12,14-15H2,1H3;2,4-5,10,14,17H,3,6-9,11-13H2,1H3
• InChIKey: SZAKDMLOGTVNAG-UHFFFAOYSA-N
• XLogP: 24.16
• TPSA: 353.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 38
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2549.84
LogP ≤ 5	24.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide?

The IUPAC name of 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide (CID 160977221) is 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide.

What is the SMILES notation for 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide?

The canonical SMILES for 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide is CC(=O)N1CC(CC(=O)CCc2cccc(-c3cn4c(n3)CCC4)c2)C1.CC(=O)N1CCCC(CC(=O)CCc2cccc(-c3cn4c(n3)CCC4)c2)C1.CN1CCN(c2ccc(-c3cn4c(n3)CCC4)cc2CNC(=O)Cc2ccc(Cl)c(Cl)c2)CC1.COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2N2CCOCC2)c1.COc1cccc(C(=O)NCc2cc(-c3cn4c(n3)CCC4)ccc2OC2CCC2)c1.O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cc(-c2cn3c(n2)CCC3)ccc1OC1CCC1.

What is the InChIKey of 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide?

The InChIKey is SZAKDMLOGTVNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29Cl2N5O.C25H25Cl2N3O2.C25H28N4O3.C25H27N3O3.C23H29N3O2.C21H25N3O2/c1-31-9-11-32(12-10-31)24-7-5-19(23-17-33-8-2-3-25(33)30-23)15-20(24)16-29-26(34)14-18-4-6-21(27)22(28)13-18;26-20-8-6-16(11-21(20)27)12-25(31)28-14-18-13-17(7-9-23(18)32-19-3-1-4-19)22-15-30-10-2-5-24(30)29-22;1-31-21-5-2-4-19(15-21)25(30)26-16-20-14-18(22-17-29-9-3-6-24(29)27-22)7-8-23(20)28-10-12-32-13-11-28;1-30-21-8-2-5-18(14-21)25(29)26-15-19-13-17(10-11-23(19)31-20-6-3-7-20)22-16-28-12-4-9-24(28)27-22;1-17(27)25-11-3-6-19(15-25)14-21(28)10-9-18-5-2-7-20(13-18)22-16-26-12-4-8-23(26)24-22;1-15(25)24-12-17(13-24)11-19(26)8-7-16-4-2-5-18(10-16)20-14-23-9-3-6-21(23)22-20/h4-7,13,15,17H,2-3,8-12,14,16H2,1H3,(H,29,34);6-9,11,13,15,19H,1-5,10,12,14H2,(H,28,31);2,4-5,7-8,14-15,17H,3,6,9-13,16H2,1H3,(H,26,30);2,5,8,10-11,13-14,16,20H,3-4,6-7,9,12,15H2,1H3,(H,26,29);2,5,7,13,16,19H,3-4,6,8-12,14-15H2,1H3;2,4-5,10,14,17H,3,6-9,11-13H2,1H3.

What are the key properties of 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide?

1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide has a molecular weight of 2549.84 g/mol, XLogP of 24.16, 38 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-acetylazetidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;1-(1-acetylpiperidin-3-yl)-4-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]butan-2-one;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-2-(3,4-dichlorophenyl)acetamide;N-[[2-cyclobutyloxy-5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl]-3-methoxybenzamide;2-(3,4-dichlorophenyl)-N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide;N-[[5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2-morpholin-4-ylphenyl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 160977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).