1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

C22H22N4O3 — CID 70391138

About 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 70391138) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• PubChem CID: 70391138
• Molecular Formula: C22H22N4O3
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.17
• IUPAC Name: 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
• SMILES: Cc1ccccc1NC(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(=O)O
• InChI: InChI=1S/C22H22N4O3/c1-15-7-5-6-10-17(15)24-22(29)26-13-18-19(11-20(26)21(27)28)25(14-23-18)12-16-8-3-2-4-9-16/h2-10,14,20H,11-13H2,1H3,(H,24,29)(H,27,28)
• InChIKey: VCUYVJITOPHNFM-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The IUPAC name of 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (CID 70391138) is 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the SMILES notation for 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The canonical SMILES for 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is Cc1ccccc1NC(=O)N1Cc2ncn(Cc3ccccc3)c2CC1C(=O)O.

What is the InChIKey of 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

The InChIKey is VCUYVJITOPHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-7-5-6-10-17(15)24-22(29)26-13-18-19(11-20(26)21(27)28)25(14-23-18)12-16-8-3-2-4-9-16/h2-10,14,20H,11-13H2,1H3,(H,24,29)(H,27,28).

What are the key properties of 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid?

1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 390.44 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-[(2-methylphenyl)carbamoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 70391138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).