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

C17H18N4O — CID 20868682

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-12(2)10-16(22)19-14-6-4-13(5-7-14)15-11-21-9-3-8-18-17(21)20-15/h3-9,11-12H,10H2,1-2H3,(H,19,22)
InChIKeyLWFKNVJFRDXMTQ-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.38
Rot. Bonds4

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

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide (PubChem CID 20868682) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide
PubChem CID20868682
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C17H18N4O/c1-12(2)10-16(22)19-14-6-4-13(5-7-14)15-11-21-9-3-8-18-17(21)20-15/h3-9,11-12H,10H2,1-2H3,(H,19,22)
InChIKeyLWFKNVJFRDXMTQ-UHFFFAOYSA-N
XLogP3.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide (CID 20868682) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide?
The InChIKey is LWFKNVJFRDXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12(2)10-16(22)19-14-6-4-13(5-7-14)15-11-21-9-3-8-18-17(21)20-15/h3-9,11-12H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide has a molecular weight of 294.36 g/mol, XLogP of 3.38, 4 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-methylbutanamide is sourced from PubChem (CID 20868682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).