2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide

C27H23FN4O4 — CID 71550109

IUPAC2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C27H23FN4O4/c1-16(18-8-11-20(28)12-9-18)32-25(34)27(36-26(32)35,15-17-6-4-3-5-7-17)24-30-21-13-10-19(23(33)29-2)14-22(21)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/m1/s1
InChIKeyVTINXWXVGLMVAO-CHAGWJKLSA-N
MW486.50 g/mol
LogP4.24
Rot. Bonds6

About 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide

2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 71550109) has the molecular formula C27H23FN4O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID71550109
Molecular FormulaC27H23FN4O4
Molecular Weight486.50 g/mol
Exact Mass486.17
IUPAC Name2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1
InChIInChI=1S/C27H23FN4O4/c1-16(18-8-11-20(28)12-9-18)32-25(34)27(36-26(32)35,15-17-6-4-3-5-7-17)24-30-21-13-10-19(23(33)29-2)14-22(21)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/m1/s1
InChIKeyVTINXWXVGLMVAO-CHAGWJKLSA-N
XLogP4.24
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide (CID 71550109) is 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1ccc2nc([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccc(F)cc4)C3=O)[nH]c2c1.
What is the InChIKey of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VTINXWXVGLMVAO-CHAGWJKLSA-N. The full InChI is InChI=1S/C27H23FN4O4/c1-16(18-8-11-20(28)12-9-18)32-25(34)27(36-26(32)35,15-17-6-4-3-5-7-17)24-30-21-13-10-19(23(33)29-2)14-22(21)31-24/h3-14,16H,15H2,1-2H3,(H,29,33)(H,30,31)/t16-,27-/m1/s1.
What are the key properties of 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide?
2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-5-benzyl-3-[(1R)-1-(4-fluorophenyl)ethyl]-2,4-dioxo-1,3-oxazolidin-5-yl]-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71550109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).