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

C25H28ClN3O — CID 56659486

IUPAC3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C
InChIInChI=1S/C25H28ClN3O/c1-17(2)29(18(3)4)23(30)13-14-25(19-9-11-20(26)12-10-19)22-8-6-5-7-21(22)24-27-15-16-28(24)25/h5-12,15-18H,13-14H2,1-4H3
InChIKeyWWMMWNXFPQKJHN-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.73
Rot. Bonds6

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

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide (PubChem CID 56659486) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide
PubChem CID56659486
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C
InChIInChI=1S/C25H28ClN3O/c1-17(2)29(18(3)4)23(30)13-14-25(19-9-11-20(26)12-10-19)22-8-6-5-7-21(22)24-27-15-16-28(24)25/h5-12,15-18H,13-14H2,1-4H3
InChIKeyWWMMWNXFPQKJHN-UHFFFAOYSA-N
XLogP5.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chloro-phenyl)-1-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 12005783
5-Benzyl-5-(4-chlorophenyl)imidazo[2,1-a]isoindole
CID 56659484
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-diethylpropanamide
CID 56662946
5-(4-chlorophenyl)-5-(3-{4-[1-(3,3-difluoropyrrolidin-1-yl)ethyl]piperidin-1-yl}-3-oxopropyl)-5H-imidazo[2,1-a]isoindole
CID 56666419
3-[5-(4-Chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 56676661
3-[5-(4-Chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 56676662
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide
CID 56683317
1-(8-Azabicyclo[3.2.1]octan-8-yl)-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
CID 56683318
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propan-1-one
CID 56662945
(4-Chloro-phenyl)-[2-(1-methyl-1H-imidazol-2-yl)-phenyl]-methanone
CID 44353798
N-benzyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)-N-methylacetamide
CID 141501919
N-[(3-chlorophenyl)methyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)acetamide
CID 141501923

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide (CID 56659486) is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C.
What is the InChIKey of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide?
The InChIKey is WWMMWNXFPQKJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-17(2)29(18(3)4)23(30)13-14-25(19-9-11-20(26)12-10-19)22-8-6-5-7-21(22)24-27-15-16-28(24)25/h5-12,15-18H,13-14H2,1-4H3.
What are the key properties of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide?
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N,N-di(propan-2-yl)propanamide has a molecular weight of 421.97 g/mol, XLogP of 5.73, 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-di(propan-2-yl)propanamide is sourced from PubChem (CID 56659486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).