1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone

C80H62F6N12O6 — CID 159734662

About 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone

1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone (PubChem CID 159734662) has the molecular formula C80H62F6N12O6 and a molecular weight of 1401.44 g/mol. Its IUPAC name is 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
• PubChem CID: 159734662
• Molecular Formula: C80H62F6N12O6
• Molecular Weight: 1401.44 g/mol
• Exact Mass: 1400.48
• IUPAC Name: 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone
• SMILES: O=C(Cc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)o1.O=C(Cc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccncn2)o1.O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CC3CCC(C3)C2)o1
• InChI: InChI=1S/C28H26F2N4O2.C27H19F2N3O2.C25H17F2N5O2/c29-21-5-3-20(4-6-21)26-27(34(16-32-26)15-19-12-17-1-2-18(11-17)13-19)24-7-8-25(36-24)28(35)33-23-9-10-31-14-22(23)30;28-21-8-6-19(7-9-21)26-27(32(17-31-26)16-18-4-2-1-3-5-18)25-11-10-24(34-25)23(33)14-20-12-13-30-15-22(20)29;26-18-3-1-16(2-4-18)24-25(32(15-31-24)13-19-8-10-29-14-30-19)23-6-5-22(34-23)21(33)11-17-7-9-28-12-20(17)27/h3-10,14,16-19H,1-2,11-13,15H2,(H,31,33,35);1-13,15,17H,14,16H2;1-10,12,14-15H,11,13H2
• InChIKey: NBRIKXLAUOHFJZ-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 220.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1401.44
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?

The IUPAC name of 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone (CID 159734662) is 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone.

What is the SMILES notation for 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?

The canonical SMILES for 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone is O=C(Cc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)o1.O=C(Cc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccncn2)o1.O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CC3CCC(C3)C2)o1.

What is the InChIKey of 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?

The InChIKey is NBRIKXLAUOHFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O2.C27H19F2N3O2.C25H17F2N5O2/c29-21-5-3-20(4-6-21)26-27(34(16-32-26)15-19-12-17-1-2-18(11-17)13-19)24-7-8-25(36-24)28(35)33-23-9-10-31-14-22(23)30;28-21-8-6-19(7-9-21)26-27(32(17-31-26)16-18-4-2-1-3-5-18)25-11-10-24(34-25)23(33)14-20-12-13-30-15-22(20)29;26-18-3-1-16(2-4-18)24-25(32(15-31-24)13-19-8-10-29-14-30-19)23-6-5-22(34-23)21(33)11-17-7-9-28-12-20(17)27/h3-10,14,16-19H,1-2,11-13,15H2,(H,31,33,35);1-13,15,17H,14,16H2;1-10,12,14-15H,11,13H2.

What are the key properties of 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone?

1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone has a molecular weight of 1401.44 g/mol, XLogP of 17.27, 20 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[3-benzyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone;5-[3-(3-bicyclo[3.2.1]octanylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide;1-[5-[5-(4-fluorophenyl)-3-(pyrimidin-4-ylmethyl)imidazol-4-yl]furan-2-yl]-2-(3-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 159734662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).