5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide

C30H24FN5O2 — CID 175682364

About 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide

5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide (PubChem CID 175682364) has the molecular formula C30H24FN5O2 and a molecular weight of 505.55 g/mol. Its IUPAC name is 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide.

Molecular Properties

• Compound Name: 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide
• PubChem CID: 175682364
• Molecular Formula: C30H24FN5O2
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.19
• IUPAC Name: 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide
• SMILES: Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2n1C(Cc1ccccc1)c1ccccc1-2
• InChI: InChI=1S/C30H24FN5O2/c1-17-11-12-19(27-34-30(38-35-27)22-15-23(22)31)14-24(17)33-29(37)26-16-32-28-21-10-6-5-9-20(21)25(36(26)28)13-18-7-3-2-4-8-18/h2-12,14,16,22-23,25H,13,15H2,1H3,(H,33,37)/t22-,23-,25?/m0/s1
• InChIKey: RBCIQLJBELJZGP-REQUTJCGSA-N
• XLogP: 6.13
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The IUPAC name of 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide (CID 175682364) is 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide.

What is the SMILES notation for 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The canonical SMILES for 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc2n1C(Cc1ccccc1)c1ccccc1-2.

What is the InChIKey of 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The InChIKey is RBCIQLJBELJZGP-REQUTJCGSA-N. The full InChI is InChI=1S/C30H24FN5O2/c1-17-11-12-19(27-34-30(38-35-27)22-15-23(22)31)14-24(17)33-29(37)26-16-32-28-21-10-6-5-9-20(21)25(36(26)28)13-18-7-3-2-4-8-18/h2-12,14,16,22-23,25H,13,15H2,1H3,(H,33,37)/t22-,23-,25?/m0/s1.

What are the key properties of 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide?

5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5H-imidazo[2,1-a]isoindole-3-carboxamide is sourced from PubChem (CID 175682364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).