tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide

C101H86F8N12O8 — CID 158471441

About tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide

tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 158471441) has the molecular formula C101H86F8N12O8 and a molecular weight of 1747.86 g/mol. Its IUPAC name is tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

• Compound Name: tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
• PubChem CID: 158471441
• Molecular Formula: C101H86F8N12O8
• Molecular Weight: 1747.86 g/mol
• Exact Mass: 1746.66
• IUPAC Name: tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
• SMILES: O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1
• InChI: InChI=1S/3C26H23F2N3O2.C23H17F2N3O2/c3*27-19-11-9-18(10-12-19)24-25(31(16-29-24)15-17-5-1-2-6-17)22-13-14-23(33-22)26(32)30-21-8-4-3-7-20(21)28;24-15-7-5-14(6-8-15)21-22(28(13-26-21)16-9-10-16)19-11-12-20(30-19)23(29)27-18-4-2-1-3-17(18)25/h3*3-4,7-14,16-17H,1-2,5-6,15H2,(H,30,32);1-8,11-13,16H,9-10H2,(H,27,29)
• InChIKey: HGJYISDGILUCIO-UHFFFAOYSA-N
• XLogP: 25.27
• TPSA: 240.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.86
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?

The IUPAC name of tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide (CID 158471441) is tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide.

What is the SMILES notation for tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?

The canonical SMILES for tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1.O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCCC2)o1.

What is the InChIKey of tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?

The InChIKey is HGJYISDGILUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H23F2N3O2.C23H17F2N3O2/c3*27-19-11-9-18(10-12-19)24-25(31(16-29-24)15-17-5-1-2-6-17)22-13-14-23(33-22)26(32)30-21-8-4-3-7-20(21)28;24-15-7-5-14(6-8-15)21-22(28(13-26-21)16-9-10-16)19-11-12-20(30-19)23(29)27-18-4-2-1-3-17(18)25/h3*3-4,7-14,16-17H,1-2,5-6,15H2,(H,30,32);1-8,11-13,16H,9-10H2,(H,27,29).

What are the key properties of tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide?

tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 1747.86 g/mol, XLogP of 25.27, 23 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 158471441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).