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

C21H22N2O — CID 6055355

IUPAC4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccccc1/C=C/C12NC(=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+
InChIKeyDHHGZVYUCARAFR-OUKQBFOZSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds2

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

4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 6055355) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID6055355
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCc1ccccc1/C=C/C12NC(=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+
InChIKeyDHHGZVYUCARAFR-OUKQBFOZSA-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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 6055355) is 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is Cc1ccccc1/C=C/C12NC(=O)CN1c1ccccc1C2(C)C.
What is the InChIKey of 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is DHHGZVYUCARAFR-OUKQBFOZSA-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+.
What are the key properties of 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one?
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 4,4-dimethyl-3a-[(E)-2-(2-methylphenyl)ethenyl]-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 6055355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).