N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide

C22H18N4O2 — CID 7080283

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c1-28-20-10-9-17(19-15-26-13-5-12-23-22(26)25-19)14-18(20)24-21(27)11-8-16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)
InChIKeyBNGRBSJKYJSMON-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.06
Rot. Bonds5

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide (PubChem CID 7080283) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
PubChem CID7080283
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C=Cc1ccccc1
InChIInChI=1S/C22H18N4O2/c1-28-20-10-9-17(19-15-26-13-5-12-23-22(26)25-19)14-18(20)24-21(27)11-8-16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27)
InChIKeyBNGRBSJKYJSMON-UHFFFAOYSA-N
XLogP4.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 121033055
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285527
(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
CID 121033240
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-phenylprop-2-enamide
CID 71965790
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide (CID 7080283) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C=Cc1ccccc1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide?
The InChIKey is BNGRBSJKYJSMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-20-10-9-17(19-15-26-13-5-12-23-22(26)25-19)14-18(20)24-21(27)11-8-16-6-3-2-4-7-16/h2-15H,1H3,(H,24,27).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide has a molecular weight of 370.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 7080283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).