N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide

C22H20N4O4 — CID 5304380

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-28-18-11-15(12-19(29-2)20(18)30-3)21(27)24-16-7-4-6-14(10-16)17-13-26-9-5-8-23-22(26)25-17/h4-13H,1-3H3,(H,24,27)
InChIKeyBDUCKXZLSZWTPR-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.67
Rot. Bonds6

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 5304380) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID5304380
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20N4O4/c1-28-18-11-15(12-19(29-2)20(18)30-3)21(27)24-16-7-4-6-14(10-16)17-13-26-9-5-8-23-22(26)25-17/h4-13H,1-3H3,(H,24,27)
InChIKeyBDUCKXZLSZWTPR-UHFFFAOYSA-N
XLogP3.67
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Bay 61-3606
CID 10200390
N-(Propan-2-Yl)-2-(3,4,5-Trimethoxyphenyl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 44205381
3,4,5-trimethoxy-N-(1-methyl-1H-benzimidazol-5-yl)benzamide
CID 929513
N-(5-butylpyrazolo[1,5-a]pyrimidin-7-yl)-3,4,5-trimethoxybenzamide
CID 9821437
Imidazo[1,2-c]pyrimidine-8-carboxamide, 12
CID 25138170
Srt-1460
CID 24180124
1-butyl-N-(2,3-dimethoxybenzyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45270738
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
2-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one
CID 4962804
3,4,5-trimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1974798
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 3240486
3-{3-[(4-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16009029

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide (CID 5304380) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is BDUCKXZLSZWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-28-18-11-15(12-19(29-2)20(18)30-3)21(27)24-16-7-4-6-14(10-16)17-13-26-9-5-8-23-22(26)25-17/h4-13H,1-3H3,(H,24,27).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 404.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 5304380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).