2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

C30H25N5O2 — CID 91347562

About 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (PubChem CID 91347562) has the molecular formula C30H25N5O2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
• PubChem CID: 91347562
• Molecular Formula: C30H25N5O2
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.20
• IUPAC Name: 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
• SMILES: COc1ccc2nc(CNCc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)[nH]c2c1
• InChI: InChI=1S/C30H25N5O2/c1-37-22-11-12-26-27(15-22)34-28(33-26)18-31-17-19-7-9-21(10-8-19)29-23(20-5-3-2-4-6-20)16-24-25(35-29)13-14-32-30(24)36/h2-16,31H,17-18H2,1H3,(H,32,36)(H,33,34)
• InChIKey: IYURMOBNZDNFCP-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 95.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The IUPAC name of 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (CID 91347562) is 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

What is the SMILES notation for 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The canonical SMILES for 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is COc1ccc2nc(CNCc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

The InChIKey is IYURMOBNZDNFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O2/c1-37-22-11-12-26-27(15-22)34-28(33-26)18-31-17-19-7-9-21(10-8-19)29-23(20-5-3-2-4-6-20)16-24-25(35-29)13-14-32-30(24)36/h2-16,31H,17-18H2,1H3,(H,32,36)(H,33,34).

What are the key properties of 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?

2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 487.56 g/mol, XLogP of 5.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 91347562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).