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

C24H28N2O3 — CID 7069885

IUPAC(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC
InChIInChI=1S/C24H28N2O3/c1-6-29-20-10-8-17(14-21(20)28-5)11-12-24-23(3,4)18-13-16(2)7-9-19(18)26(24)15-22(27)25-24/h7-14H,6,15H2,1-5H3,(H,25,27)/b12-11+/t24-/m1/s1
InChIKeyQGZZQLSJPSKXQZ-UWHSVAFCSA-N
MW392.50 g/mol
LogP4.04
Rot. Bonds5

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

(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 7069885) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID7069885
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC
InChIInChI=1S/C24H28N2O3/c1-6-29-20-10-8-17(14-21(20)28-5)11-12-24-23(3,4)18-13-16(2)7-9-19(18)26(24)15-22(27)25-24/h7-14H,6,15H2,1-5H3,(H,25,27)/b12-11+/t24-/m1/s1
InChIKeyQGZZQLSJPSKXQZ-UWHSVAFCSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216765
3a-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216680
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
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
(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
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
10a-[2-(3-ethoxy-4-propoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4836891
3a-[(E)-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6224653
3a-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216818
10a-[(E)-2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 6216869
(3aR)-3a-[(E)-2-(4-heptoxy-3-methoxyphenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 95371447

Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 7069885) is (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is CCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OC.
What is the InChIKey of (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is QGZZQLSJPSKXQZ-UWHSVAFCSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-6-29-20-10-8-17(14-21(20)28-5)11-12-24-23(3,4)18-13-16(2)7-9-19(18)26(24)15-22(27)25-24/h7-14H,6,15H2,1-5H3,(H,25,27)/b12-11+/t24-/m1/s1.
What are the key properties of (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
(3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-[(E)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 7069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).