(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one

C21H22N2O — CID 2029427

IUPAC(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C
InChIInChI=1S/C21H22N2O/c1-15-8-4-5-9-16(15)12-13-21-20(2,3)17-10-6-7-11-18(17)23(21)14-19(24)22-21/h4-13H,14H2,1-3H3,(H,22,24)/b13-12+/t21-/m0/s1
InChIKeyDHHGZVYUCARAFR-IWGBCORSSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds2

About (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one

(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 2029427) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID2029427
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C
InChIInChI=1S/C21H22N2O/c1-15-8-4-5-9-16(15)12-13-21-20(2,3)17-10-6-7-11-18(17)23(21)14-19(24)22-21/h4-13H,14H2,1-3H3,(H,22,24)/b13-12+/t21-/m0/s1
InChIKeyDHHGZVYUCARAFR-IWGBCORSSA-N
XLogP3.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR)-4,4,6-trimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 940696
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
(3aR)-4,4-dimethyl-3a-[(E)-2-(2-propoxyphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 7069769
(3aR)-4,4-dimethyl-3a-[(E)-2-thiophen-2-ylethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 1274042
3a-[2-(1H-indol-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 3553271
(3aS)-3a-[(E)-2-(1H-indol-3-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 2003217
3a-[2-(2-fluorophenyl)ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 4887764
(3aR)-3a-[(E)-2-(9H-fluoren-2-yl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 6584318
(3aS)-3a-[2-[(8aR)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 162941524
(3aR)-3a-[2-[(8aS)-2-methyl-8aH-chromen-3-yl]ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 162941526
(3aR)-4,4-dimethyl-3a-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
CID 7707369

Frequently Asked Questions

What is the IUPAC name of (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 2029427) is (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is Cc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C.
What is the InChIKey of (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is DHHGZVYUCARAFR-IWGBCORSSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-8-4-5-9-16(15)12-13-21-20(2,3)17-10-6-7-11-18(17)23(21)14-19(24)22-21/h4-13H,14H2,1-3H3,(H,22,24)/b13-12+/t21-/m0/s1.
What are the key properties of (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
(3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 318.42 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS)-4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 2029427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).