3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one

C26H30N2O3 — CID 6216765

IUPAC3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESC=C(C)COc1ccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC
InChIInChI=1S/C26H30N2O3/c1-17(2)16-31-22-10-8-19(14-23(22)30-6)11-12-26-25(4,5)20-13-18(3)7-9-21(20)28(26)15-24(29)27-26/h7-14H,1,15-16H2,2-6H3,(H,27,29)/b12-11+
InChIKeyQOFJPCHQBQMWEG-VAWYXSNFSA-N
MW418.54 g/mol
LogP4.60
Rot. Bonds6

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

3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6216765) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID6216765
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESC=C(C)COc1ccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC
InChIInChI=1S/C26H30N2O3/c1-17(2)16-31-22-10-8-19(14-23(22)30-6)11-12-26-25(4,5)20-13-18(3)7-9-21(20)28(26)15-24(29)27-26/h7-14H,1,15-16H2,2-6H3,(H,27,29)/b12-11+
InChIKeyQOFJPCHQBQMWEG-VAWYXSNFSA-N
XLogP4.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 7069885
3a-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216680
(3aR)-3a-[(E)-2-(4-heptoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 95371758
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
10a-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4834577
(10aS)-10a-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 7069853
3a-[(E)-2-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6225453
3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216818
(3aS)-3a-[(E)-2-(5-bromo-2-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 40872762
10a-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4835214
(3aR)-3a-[(E)-2-(4-heptoxy-3-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 95371447
(3aS)-3a-[2-[4-(dimethylamino)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 163079947

Frequently Asked Questions

What is the IUPAC name of 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6216765) is 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is C=C(C)COc1ccc(/C=C/C23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC.
What is the InChIKey of 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is QOFJPCHQBQMWEG-VAWYXSNFSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-17(2)16-31-22-10-8-19(14-23(22)30-6)11-12-26-25(4,5)20-13-18(3)7-9-21(20)28(26)15-24(29)27-26/h7-14H,1,15-16H2,2-6H3,(H,27,29)/b12-11+.
What are the key properties of 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(E)-2-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6216765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).