4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one

C24H21N3O2S — CID 55986211

About 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one

4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one (PubChem CID 55986211) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one
• PubChem CID: 55986211
• Molecular Formula: C24H21N3O2S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.14
• IUPAC Name: 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one
• SMILES: Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCc3sccc3C2c2ccccc2)cc1
• InChI: InChI=1S/C24H21N3O2S/c1-16-15-25-24(29)27(16)19-9-7-18(8-10-19)23(28)26-13-11-21-20(12-14-30-21)22(26)17-5-3-2-4-6-17/h2-10,12,14-15,22H,11,13H2,1H3,(H,25,29)
• InChIKey: IUYLGKUJHHNBDZ-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 58.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one?

The IUPAC name of 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one (CID 55986211) is 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one.

What is the SMILES notation for 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one?

The canonical SMILES for 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CCc3sccc3C2c2ccccc2)cc1.

What is the InChIKey of 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one?

The InChIKey is IUYLGKUJHHNBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-15-25-24(29)27(16)19-9-7-18(8-10-19)23(28)26-13-11-21-20(12-14-30-21)22(26)17-5-3-2-4-6-17/h2-10,12,14-15,22H,11,13H2,1H3,(H,25,29).

What are the key properties of 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one?

4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one has a molecular weight of 415.52 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-3-[4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 55986211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).