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

C22H24N2O — CID 940696

IUPAC(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3C)NC(=O)CN21
InChIInChI=1S/C22H24N2O/c1-15-9-10-19-18(13-15)21(3,4)22(23-20(25)14-24(19)22)12-11-17-8-6-5-7-16(17)2/h5-13H,14H2,1-4H3,(H,23,25)/b12-11+/t22-/m1/s1
InChIKeyQENFLDSGZYUPND-VDZCTEQFSA-N
MW332.45 g/mol
LogP3.94
Rot. Bonds2

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

(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 940696) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID940696
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3C)NC(=O)CN21
InChIInChI=1S/C22H24N2O/c1-15-9-10-19-18(13-15)21(3,4)22(23-20(25)14-24(19)22)12-11-17-8-6-5-7-16(17)2/h5-13H,14H2,1-4H3,(H,23,25)/b12-11+/t22-/m1/s1
InChIKeyQENFLDSGZYUPND-VDZCTEQFSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3a-[2-(2-fluorophenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 4887764
(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 2029427
3a-[2-(furan-2-yl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 4834802
(3aS)-3a-[2-[4-(dimethylamino)phenyl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 163079947
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
(10aS)-8,10,10-trimethyl-10a-[(Z)-2-(4-phenylphenyl)ethenyl]-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 97046396
3a-[2-(2-chlorophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 3804565
(3aR)-3a-[2-(2-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 162877716
10a-[2-(2,3-dichlorophenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4892320
10a-[2-(2,3-dimethoxyphenyl)ethenyl]-8,10,10-trimethyl-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 4836957
3a-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6216680

Frequently Asked Questions

What is the IUPAC name of (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 940696) is (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccccc3C)NC(=O)CN21.
What is the InChIKey of (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is QENFLDSGZYUPND-VDZCTEQFSA-N. The full InChI is InChI=1S/C22H24N2O/c1-15-9-10-19-18(13-15)21(3,4)22(23-20(25)14-24(19)22)12-11-17-8-6-5-7-16(17)2/h5-13H,14H2,1-4H3,(H,23,25)/b12-11+/t22-/m1/s1.
What are the key properties of (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 332.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 940696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).