N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide

C18H20N4O — CID 126842056

IUPACN-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCc2cn3cccnc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-13(2)14-4-6-15(7-5-14)17(23)19-10-8-16-12-22-11-3-9-20-18(22)21-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23)
InChIKeyPEIXKJRLVOFPLS-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.83
Rot. Bonds5

About N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide

N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide (PubChem CID 126842056) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide
PubChem CID126842056
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC NameN-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCCc2cn3cccnc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-13(2)14-4-6-15(7-5-14)17(23)19-10-8-16-12-22-11-3-9-20-18(22)21-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23)
InChIKeyPEIXKJRLVOFPLS-UHFFFAOYSA-N
XLogP2.83
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methyl]-N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-1,3-benzoxazole-6-carboxamide
CID 42098394
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-propan-2-ylbenzamide
CID 110717824
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
4-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429154
N-(3-hydroxy-3-phenylpropyl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111472086
4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 25350163
2-imidazo[1,2-a]pyrimidin-2-ylethanamine;hydrobromide
CID 71756465
N-[(2-methyl-3-pyridinyl)methyl]-4-propan-2-ylbenzamide
CID 138702079
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 172672641
4-ethoxy-N-[2-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-2-oxoethyl]benzamide
CID 25429958
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 31008571

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide (CID 126842056) is N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCCc2cn3cccnc3n2)cc1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide?
The InChIKey is PEIXKJRLVOFPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)14-4-6-15(7-5-14)17(23)19-10-8-16-12-22-11-3-9-20-18(22)21-16/h3-7,9,11-13H,8,10H2,1-2H3,(H,19,23).
What are the key properties of N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide?
N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide has a molecular weight of 308.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyrimidin-2-ylethyl)-4-propan-2-ylbenzamide is sourced from PubChem (CID 126842056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).