2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)

C128H152Cl6F6N18O6 — CID 157278619

About 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)

2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide) (PubChem CID 157278619) has the molecular formula C128H152Cl6F6N18O6 and a molecular weight of 2365.45 g/mol. Its IUPAC name is 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide).

Molecular Properties

• Compound Name: 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)
• PubChem CID: 157278619
• Molecular Formula: C128H152Cl6F6N18O6
• Molecular Weight: 2365.45 g/mol
• Exact Mass: 2361.02
• IUPAC Name: 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)
• SMILES: CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1
• InChI: InChI=1S/C24H29ClFN3O.4C21H25ClFN3O.C20H23ClFN3O/c25-19-6-4-5-18-21-15-27-16-29(21)20(22(18)19)9-12-24(26)10-7-17(8-11-24)23(30)28-13-2-1-3-14-28;4*1-25(2)20(27)14-6-9-21(23,10-7-14)11-8-17-19-15(4-3-5-16(19)22)18-12-24-13-26(17)18;21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h4-6,15-17,20H,1-3,7-14H2;4*3-5,12-14,17H,6-11H2,1-2H3;1-3,11-13,16H,4-10H2,(H2,23,26)
• InChIKey: AZJZAZFULRTOFG-UHFFFAOYSA-N
• XLogP: 29.95
• TPSA: 251.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 25
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2365.45
LogP ≤ 5	29.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)?

The IUPAC name of 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide) (CID 157278619) is 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide).

What is the SMILES notation for 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)?

The canonical SMILES for 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide) is CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.CN(C)C(=O)C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.

What is the InChIKey of 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)?

The InChIKey is AZJZAZFULRTOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O.4C21H25ClFN3O.C20H23ClFN3O/c25-19-6-4-5-18-21-15-27-16-29(21)20(22(18)19)9-12-24(26)10-7-17(8-11-24)23(30)28-13-2-1-3-14-28;4*1-25(2)20(27)14-6-9-21(23,10-7-14)11-8-17-19-15(4-3-5-16(19)22)18-12-24-13-26(17)18;21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h4-6,15-17,20H,1-3,7-14H2;4*3-5,12-14,17H,6-11H2,1-2H3;1-3,11-13,16H,4-10H2,(H2,23,26).

What are the key properties of 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)?

2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide) has a molecular weight of 2365.45 g/mol, XLogP of 29.95, 25 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide) is sourced from PubChem (CID 157278619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).