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

C29H29ClN2O3 — CID 6225330

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

3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6225330) has the molecular formula C29H29ClN2O3 and a molecular weight of 489.02 g/mol. Its IUPAC name is 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

• Compound Name: 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• PubChem CID: 6225330
• Molecular Formula: C29H29ClN2O3
• Molecular Weight: 489.02 g/mol
• Exact Mass: 488.19
• IUPAC Name: 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
• SMILES: COc1cc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)ccc1OCc1ccccc1Cl
• InChI: InChI=1S/C29H29ClN2O3/c1-19-9-11-24-22(15-19)28(2,3)29(31-27(33)17-32(24)29)14-13-20-10-12-25(26(16-20)34-4)35-18-21-7-5-6-8-23(21)30/h5-16H,17-18H2,1-4H3,(H,31,33)/b14-13+
• InChIKey: LSERSVHMPBGUKR-BUHFOSPRSA-N
• XLogP: 5.87
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.02
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6225330) is 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-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-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?

The canonical SMILES for 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is COc1cc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)ccc1OCc1ccccc1Cl.

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

The InChIKey is LSERSVHMPBGUKR-BUHFOSPRSA-N. The full InChI is InChI=1S/C29H29ClN2O3/c1-19-9-11-24-22(15-19)28(2,3)29(31-27(33)17-32(24)29)14-13-20-10-12-25(26(16-20)34-4)35-18-21-7-5-6-8-23(21)30/h5-16H,17-18H2,1-4H3,(H,31,33)/b14-13+.

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

3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 489.02 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3a-[(E)-2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6225330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).