3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide

C23H24ClN3O — CID 56662946

IUPAC3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C23H24ClN3O/c1-3-26(4-2)21(28)13-14-23(17-9-11-18(24)12-10-17)20-8-6-5-7-19(20)22-25-15-16-27(22)23/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyGEFKGCGLIPFFLO-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.96
Rot. Bonds6

About 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide (PubChem CID 56662946) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
PubChem CID56662946
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C23H24ClN3O/c1-3-26(4-2)21(28)13-14-23(17-9-11-18(24)12-10-17)20-8-6-5-7-19(20)22-25-15-16-27(22)23/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyGEFKGCGLIPFFLO-UHFFFAOYSA-N
XLogP4.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide (CID 56662946) is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide?
The InChIKey is GEFKGCGLIPFFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-3-26(4-2)21(28)13-14-23(17-9-11-18(24)12-10-17)20-8-6-5-7-19(20)22-25-15-16-27(22)23/h5-12,15-16H,3-4,13-14H2,1-2H3.
What are the key properties of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide?
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide has a molecular weight of 393.92 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 56662946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).