(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione

C29H22FN5O3 — CID 71550110

About (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 71550110) has the molecular formula C29H22FN5O3 and a molecular weight of 507.53 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
• PubChem CID: 71550110
• Molecular Formula: C29H22FN5O3
• Molecular Weight: 507.53 g/mol
• Exact Mass: 507.17
• IUPAC Name: (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione
• SMILES: C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cncnc4)cc3[nH]2)C1=O
• InChI: InChI=1S/C29H22FN5O3/c1-18(20-7-10-23(30)11-8-20)35-27(36)29(38-28(35)37,14-19-5-3-2-4-6-19)26-33-24-12-9-21(13-25(24)34-26)22-15-31-17-32-16-22/h2-13,15-18H,14H2,1H3,(H,33,34)/t18-,29-/m1/s1
• InChIKey: BSUOAUQMXRRLKR-LDLUVENISA-N
• XLogP: 5.34
• TPSA: 101.07 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	507.53
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The IUPAC name of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione (CID 71550110) is (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The canonical SMILES for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccccc2)(c2nc3ccc(-c4cncnc4)cc3[nH]2)C1=O.

What is the InChIKey of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

The InChIKey is BSUOAUQMXRRLKR-LDLUVENISA-N. The full InChI is InChI=1S/C29H22FN5O3/c1-18(20-7-10-23(30)11-8-20)35-27(36)29(38-28(35)37,14-19-5-3-2-4-6-19)26-33-24-12-9-21(13-25(24)34-26)22-15-31-17-32-16-22/h2-13,15-18H,14H2,1H3,(H,33,34)/t18-,29-/m1/s1.

What are the key properties of (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione?

(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 507.53 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-5-(6-pyrimidin-5-yl-1H-benzimidazol-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 71550110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).