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

C20H19BrN2O — CID 5291484

IUPAC3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O/c1-19(2)16-8-3-4-9-17(16)23-13-18(24)22-20(19,23)11-10-14-6-5-7-15(21)12-14/h3-12H,13H2,1-2H3,(H,22,24)/b11-10+
InChIKeyUBJZXUVRNFZHFK-ZHACJKMWSA-N
MW383.29 g/mol
LogP4.09
Rot. Bonds2

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

3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (PubChem CID 5291484) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.

Molecular Properties

Compound Name3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
PubChem CID5291484
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
SMILESCC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1cccc(Br)c1
InChIInChI=1S/C20H19BrN2O/c1-19(2)16-8-3-4-9-17(16)23-13-18(24)22-20(19,23)11-10-14-6-5-7-15(21)12-14/h3-12H,13H2,1-2H3,(H,22,24)/b11-10+
InChIKeyUBJZXUVRNFZHFK-ZHACJKMWSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The IUPAC name of 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one (CID 5291484) is 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one.
What is the SMILES notation for 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The canonical SMILES for 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is CC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1cccc(Br)c1.
What is the InChIKey of 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
The InChIKey is UBJZXUVRNFZHFK-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-19(2)16-8-3-4-9-17(16)23-13-18(24)22-20(19,23)11-10-14-6-5-7-15(21)12-14/h3-12H,13H2,1-2H3,(H,22,24)/b11-10+.
What are the key properties of 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one?
3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one has a molecular weight of 383.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(E)-2-(3-bromophenyl)ethenyl]-4,4-dimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one is sourced from PubChem (CID 5291484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).