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

C25H28ClN3O2 — CID 143994728

IUPAC3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide
SMILESCCCN(CCOC)C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C25H28ClN3O2/c1-3-15-28(17-18-31-2)23(30)12-13-25(19-8-10-20(26)11-9-19)22-7-5-4-6-21(22)24-27-14-16-29(24)25/h4-11,14,16H,3,12-13,15,17-18H2,1-2H3
InChIKeyCHKCNONNAULYNS-UHFFFAOYSA-N
MW437.97 g/mol
LogP4.97
Rot. Bonds9

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

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide (PubChem CID 143994728) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide
PubChem CID143994728
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide
SMILESCCCN(CCOC)C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C25H28ClN3O2/c1-3-15-28(17-18-31-2)23(30)12-13-25(19-8-10-20(26)11-9-19)22-7-5-4-6-21(22)24-27-14-16-29(24)25/h4-11,14,16H,3,12-13,15,17-18H2,1-2H3
InChIKeyCHKCNONNAULYNS-UHFFFAOYSA-N
XLogP4.97
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[bis(2-methoxyethyl)amino]methyl]piperidin-1-yl]-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415480
N,N-diethyl-3-[6-methoxy-5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propanamide
CID 143994676
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propanoic acid
CID 58415458
1-[3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propanoyl]piperidine-3-carboxamide
CID 58415609
1-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]-5,5-dimethylhexan-3-one
CID 143994698
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-methylphenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 70885230
1-(7-azabicyclo[2.2.1]heptan-7-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 58415585
1-(8-azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 46204641
N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide
CID 91511519
2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methylbutan-2-yl)acetamide
CID 58415510
N-[2-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]ethyl]formamide;2-methoxy-2-methylpropane
CID 143994725
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 58415614

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide (CID 143994728) is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide is CCCN(CCOC)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-(2-methoxyethyl)-N-propylpropanamide?
The InChIKey is CHKCNONNAULYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-3-15-28(17-18-31-2)23(30)12-13-25(19-8-10-20(26)11-9-19)22-7-5-4-6-21(22)24-27-14-16-29(24)25/h4-11,14,16H,3,12-13,15,17-18H2,1-2H3.
What are the key properties of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide?
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide has a molecular weight of 437.97 g/mol, XLogP of 4.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-(2-methoxyethyl)-N-propylpropanamide is sourced from PubChem (CID 143994728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).