N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide

C20H22IN3O — CID 10789571

IUPACN-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(I)cn12
InChIInChI=1S/C20H22IN3O/c1-13(25)22-11-17-19(23-18-10-9-16(21)12-24(17)18)14-5-7-15(8-6-14)20(2,3)4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyZKISSFMWIJCIRW-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.54
Rot. Bonds3

About N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide

N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide (PubChem CID 10789571) has the molecular formula C20H22IN3O and a molecular weight of 447.32 g/mol. Its IUPAC name is N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
PubChem CID10789571
Molecular FormulaC20H22IN3O
Molecular Weight447.32 g/mol
Exact Mass447.08
IUPAC NameN-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(I)cn12
InChIInChI=1S/C20H22IN3O/c1-13(25)22-11-17-19(23-18-10-9-16(21)12-24(17)18)14-5-7-15(8-6-14)20(2,3)4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyZKISSFMWIJCIRW-UHFFFAOYSA-N
XLogP4.54
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide (CID 10789571) is N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide is CC(=O)NCc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(I)cn12.
What is the InChIKey of N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
The InChIKey is ZKISSFMWIJCIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O/c1-13(25)22-11-17-19(23-18-10-9-16(21)12-24(17)18)14-5-7-15(8-6-14)20(2,3)4/h5-10,12H,11H2,1-4H3,(H,22,25).
What are the key properties of N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide?
N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide has a molecular weight of 447.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridin-3-yl]methyl]acetamide is sourced from PubChem (CID 10789571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).