2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C23H19F3N4O4 — CID 59362427

IUPAC2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESC[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C23H19F3N4O4/c1-12(11-34-14-4-5-18-19(9-14)29-23(33)28-18)27-21(31)15-3-2-6-30(22(15)32)10-13-7-16(24)20(26)17(25)8-13/h2-9,12H,10-11H2,1H3,(H,27,31)(H2,28,29,33)/t12-/m1/s1
InChIKeyGZZMYSZGPHSEQB-GFCCVEGCSA-N
MW472.42 g/mol
LogP2.68
Rot. Bonds7

About 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362427) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID59362427
Molecular FormulaC23H19F3N4O4
Molecular Weight472.42 g/mol
Exact Mass472.14
IUPAC Name2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESC[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O
InChIInChI=1S/C23H19F3N4O4/c1-12(11-34-14-4-5-18-19(9-14)29-23(33)28-18)27-21(31)15-3-2-6-30(22(15)32)10-13-7-16(24)20(26)17(25)8-13/h2-9,12H,10-11H2,1H3,(H,27,31)(H2,28,29,33)/t12-/m1/s1
InChIKeyGZZMYSZGPHSEQB-GFCCVEGCSA-N
XLogP2.68
TPSA108.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362427) is 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is C[C@H](COc1ccc2[nH]c(=O)[nH]c2c1)NC(=O)c1cccn(Cc2cc(F)c(F)c(F)c2)c1=O.
What is the InChIKey of 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is GZZMYSZGPHSEQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c1-12(11-34-14-4-5-18-19(9-14)29-23(33)28-18)27-21(31)15-3-2-6-30(22(15)32)10-13-7-16(24)20(26)17(25)8-13/h2-9,12H,10-11H2,1H3,(H,27,31)(H2,28,29,33)/t12-/m1/s1.
What are the key properties of 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]propan-2-yl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).