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

C24H26ClN3O — CID 56683317

IUPAC3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C
InChIInChI=1S/C24H26ClN3O/c1-4-27(17(2)3)22(29)13-14-24(18-9-11-19(25)12-10-18)21-8-6-5-7-20(21)23-26-15-16-28(23)24/h5-12,15-17H,4,13-14H2,1-3H3
InChIKeyNSRYWAJPPUWIAD-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.35
Rot. Bonds6

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

3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide (PubChem CID 56683317) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide
PubChem CID56683317
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)CCC1(c2ccc(Cl)cc2)c2ccccc2-c2nccn21)C(C)C
InChIInChI=1S/C24H26ClN3O/c1-4-27(17(2)3)22(29)13-14-24(18-9-11-19(25)12-10-18)21-8-6-5-7-20(21)23-26-15-16-28(23)24/h5-12,15-17H,4,13-14H2,1-3H3
InChIKeyNSRYWAJPPUWIAD-UHFFFAOYSA-N
XLogP5.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.35
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-ethyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide (CID 56683317) is 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide is CCN(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-ethyl-N-propan-2-ylpropanamide?
The InChIKey is NSRYWAJPPUWIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-4-27(17(2)3)22(29)13-14-24(18-9-11-19(25)12-10-18)21-8-6-5-7-20(21)23-26-15-16-28(23)24/h5-12,15-17H,4,13-14H2,1-3H3.
What are the key properties of 3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide?
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-N-ethyl-N-propan-2-ylpropanamide has a molecular weight of 407.95 g/mol, XLogP of 5.35, 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-ethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 56683317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).