2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide

C21H23N3O2 — CID 59025915

IUPAC2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C23NCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-20(2,3)19(26)23-15-8-6-7-14(13-15)21-17-10-5-4-9-16(17)18(25)24(21)12-11-22-21/h4-10,13,22H,11-12H2,1-3H3,(H,23,26)
InChIKeyZZQQZACOWICZLP-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.93
Rot. Bonds2

About 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide

2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide (PubChem CID 59025915) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide
PubChem CID59025915
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(C23NCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C21H23N3O2/c1-20(2,3)19(26)23-15-8-6-7-14(13-15)21-17-10-5-4-9-16(17)18(25)24(21)12-11-22-21/h4-10,13,22H,11-12H2,1-3H3,(H,23,26)
InChIKeyZZQQZACOWICZLP-UHFFFAOYSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide (CID 59025915) is 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(C23NCCN2C(=O)c2ccccc23)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide?
The InChIKey is ZZQQZACOWICZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-20(2,3)19(26)23-15-8-6-7-14(13-15)21-17-10-5-4-9-16(17)18(25)24(21)12-11-22-21/h4-10,13,22H,11-12H2,1-3H3,(H,23,26).
What are the key properties of 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide?
2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(5-oxo-2,3-dihydro-1H-imidazo[2,1-a]isoindol-9b-yl)phenyl]propanamide is sourced from PubChem (CID 59025915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).