5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C29H27N3O4 — CID 14403650

About 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 14403650) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 14403650
• Molecular Formula: C29H27N3O4
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.20
• IUPAC Name: 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: COc1cccc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1
• InChI: InChI=1S/C29H27N3O4/c1-36-23-14-8-9-20(15-23)17-31-19-30-24-18-32(26(29(34)35)16-25(24)31)28(33)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,19,26-27H,16-18H2,1H3,(H,34,35)
• InChIKey: RUWAPOBUOQZQGV-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 84.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 14403650) is 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is COc1cccc(Cn2cnc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)c1.

What is the InChIKey of 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is RUWAPOBUOQZQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O4/c1-36-23-14-8-9-20(15-23)17-31-19-30-24-18-32(26(29(34)35)16-25(24)31)28(33)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,19,26-27H,16-18H2,1H3,(H,34,35).

What are the key properties of 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 481.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-diphenylacetyl)-1-[(3-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 14403650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).