N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide

C18H20N4O — CID 20868683

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)11-16(23)20-14-7-5-13(6-8-14)15-12-22-10-4-9-19-17(22)21-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyKLXNKOCNRZMCIJ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.77
Rot. Bonds3

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide (PubChem CID 20868683) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide
PubChem CID20868683
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-18(2,3)11-16(23)20-14-7-5-13(6-8-14)15-12-22-10-4-9-19-17(22)21-15/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyKLXNKOCNRZMCIJ-UHFFFAOYSA-N
XLogP3.77
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide (CID 20868683) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide?
The InChIKey is KLXNKOCNRZMCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)11-16(23)20-14-7-5-13(6-8-14)15-12-22-10-4-9-19-17(22)21-15/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide has a molecular weight of 308.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 20868683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).