3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

C22H24N2O2 — CID 6216818

About 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6216818) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

• Compound Name: 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• PubChem CID: 6216818
• Molecular Formula: C22H24N2O2
• Molecular Weight: 348.45 g/mol
• Exact Mass: 348.18
• IUPAC Name: 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• SMILES: COc1cccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1
• InChI: InChI=1S/C22H24N2O2/c1-15-8-9-19-18(12-15)21(2,3)22(23-20(25)14-24(19)22)11-10-16-6-5-7-17(13-16)26-4/h5-13H,14H2,1-4H3,(H,23,25)/b11-10+
• InChIKey: PFEFCGIGJAELAF-ZHACJKMWSA-N
• XLogP: 3.64
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.45
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The IUPAC name of 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6216818) is 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

What is the SMILES notation for 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The canonical SMILES for 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is COc1cccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)c1.

What is the InChIKey of 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The InChIKey is PFEFCGIGJAELAF-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-8-9-19-18(12-15)21(2,3)22(23-20(25)14-24(19)22)11-10-16-6-5-7-17(13-16)26-4/h5-13H,14H2,1-4H3,(H,23,25)/b11-10+.

What are the key properties of 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6216818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).