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

C30H25N5O2 — CID 91347562

IUPAC2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc2nc(CNCc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)[nH]c2c1
InChIInChI=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)
InChIKeyIYURMOBNZDNFCP-UHFFFAOYSA-N
MW487.56 g/mol
LogP5.43
Rot. Bonds7

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 Name2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
PubChem CID91347562
Molecular FormulaC30H25N5O2
Molecular Weight487.56 g/mol
Exact Mass487.20
IUPAC Name2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc2nc(CNCc3ccc(-c4nc5cc[nH]c(=O)c5cc4-c4ccccc4)cc3)[nH]c2c1
InChIInChI=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)
InChIKeyIYURMOBNZDNFCP-UHFFFAOYSA-N
XLogP5.43
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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).