methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

C24H26N4O3 — CID 25317673

About methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate

methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 25317673) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 25317673
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1ccc(N(C)C)cc1
• InChI: InChI=1S/C24H26N4O3/c1-26(2)19-11-9-18(10-12-19)23(29)28-15-22-20(13-21(28)24(30)31-3)25-16-27(22)14-17-7-5-4-6-8-17/h4-12,16,21H,13-15H2,1-3H3/t21-/m0/s1
• InChIKey: ZXSVSSIIEGPESH-NRFANRHFSA-N
• XLogP: 2.74
• TPSA: 67.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate (CID 25317673) is methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)[C@@H]1Cc2ncn(Cc3ccccc3)c2CN1C(=O)c1ccc(N(C)C)cc1.

What is the InChIKey of methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is ZXSVSSIIEGPESH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-26(2)19-11-9-18(10-12-19)23(29)28-15-22-20(13-21(28)24(30)31-3)25-16-27(22)14-17-7-5-4-6-8-17/h4-12,16,21H,13-15H2,1-3H3/t21-/m0/s1.

What are the key properties of methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate?

methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 418.50 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6S)-3-benzyl-5-[4-(dimethylamino)benzoyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 25317673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).