1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one

C24H22N6O2 — CID 178075743

About 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one

1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 178075743) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

• Compound Name: 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
• PubChem CID: 178075743
• Molecular Formula: C24H22N6O2
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.18
• IUPAC Name: 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one
• SMILES: COc1cc(Nc2cc3c(cn2)[nH]c(=O)n3Cc2ccccc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C24H22N6O2/c1-16-13-29(15-26-16)20-9-8-18(10-22(20)32-2)27-23-11-21-19(12-25-23)28-24(31)30(21)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,25,27)(H,28,31)
• InChIKey: AMPDSFFGINFJDZ-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 89.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one?

The IUPAC name of 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one (CID 178075743) is 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one.

What is the SMILES notation for 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one?

The canonical SMILES for 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one is COc1cc(Nc2cc3c(cn2)[nH]c(=O)n3Cc2ccccc2)ccc1-n1cnc(C)c1.

What is the InChIKey of 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one?

The InChIKey is AMPDSFFGINFJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-16-13-29(15-26-16)20-9-8-18(10-22(20)32-2)27-23-11-21-19(12-25-23)28-24(31)30(21)14-17-6-4-3-5-7-17/h3-13,15H,14H2,1-2H3,(H,25,27)(H,28,31).

What are the key properties of 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one?

1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 426.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 178075743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).