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

C25H28ClN3O — CID 91511519

IUPACN-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide
SMILESCCC(CC(=O)NC(C)(C)C)C1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C25H28ClN3O/c1-5-17(16-22(30)28-24(2,3)4)25(18-10-12-19(26)13-11-18)21-9-7-6-8-20(21)23-27-14-15-29(23)25/h6-15,17H,5,16H2,1-4H3,(H,28,30)
InChIKeyWBMNSKIIMULVRY-UHFFFAOYSA-N
MW421.97 g/mol
LogP5.64
Rot. Bonds5

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

N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide (PubChem CID 91511519) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide
PubChem CID91511519
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC NameN-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide
SMILESCCC(CC(=O)NC(C)(C)C)C1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C25H28ClN3O/c1-5-17(16-22(30)28-24(2,3)4)25(18-10-12-19(26)13-11-18)21-9-7-6-8-20(21)23-27-14-15-29(23)25/h6-15,17H,5,16H2,1-4H3,(H,28,30)
InChIKeyWBMNSKIIMULVRY-UHFFFAOYSA-N
XLogP5.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.97
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide?
The IUPAC name of N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide (CID 91511519) is N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide.
What is the SMILES notation for N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide?
The canonical SMILES for N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide is CCC(CC(=O)NC(C)(C)C)C1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide?
The InChIKey is WBMNSKIIMULVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c1-5-17(16-22(30)28-24(2,3)4)25(18-10-12-19(26)13-11-18)21-9-7-6-8-20(21)23-27-14-15-29(23)25/h6-15,17H,5,16H2,1-4H3,(H,28,30).
What are the key properties of N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide?
N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide has a molecular weight of 421.97 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]pentanamide is sourced from PubChem (CID 91511519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).