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

C29H24F2N4O4 — CID 24861120

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

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide (PubChem CID 24861120) has the molecular formula C29H24F2N4O4 and a molecular weight of 530.53 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide
• PubChem CID: 24861120
• Molecular Formula: C29H24F2N4O4
• Molecular Weight: 530.53 g/mol
• Exact Mass: 530.18
• IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide
• SMILES: O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C29H24F2N4O4/c30-23-10-8-19(14-24(23)31)16-35-12-4-7-22(28(35)37)27(36)32-20(13-18-5-2-1-3-6-18)17-39-21-9-11-25-26(15-21)34-29(38)33-25/h1-12,14-15,20H,13,16-17H2,(H,32,36)(H2,33,34,38)/t20-/m1/s1
• InChIKey: XLXPIFALNURJBJ-HXUWFJFHSA-N
• XLogP: 3.76
• TPSA: 108.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.53
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide (CID 24861120) is 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide is O=C(N[C@@H](COc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1)c1cccn(Cc2ccc(F)c(F)c2)c1=O.

What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide?

The InChIKey is XLXPIFALNURJBJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C29H24F2N4O4/c30-23-10-8-19(14-24(23)31)16-35-12-4-7-22(28(35)37)27(36)32-20(13-18-5-2-1-3-6-18)17-39-21-9-11-25-26(15-21)34-29(38)33-25/h1-12,14-15,20H,13,16-17H2,(H,32,36)(H2,33,34,38)/t20-/m1/s1.

What are the key properties of 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide?

1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide has a molecular weight of 530.53 g/mol, XLogP of 3.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-difluorophenyl)methyl]-2-oxo-N-[(2R)-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]-3-phenylpropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24861120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).