3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide

C24H24N4O3 — CID 7080217

IUPAC3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OCC
InChIInChI=1S/C24H24N4O3/c1-4-30-21-10-9-18(14-22(21)31-5-2)23(29)26-19-13-17(8-7-16(19)3)20-15-28-12-6-11-25-24(28)27-20/h6-15H,4-5H2,1-3H3,(H,26,29)
InChIKeyFYPGJLKUCBAASB-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.75
Rot. Bonds7

About 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide

3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (PubChem CID 7080217) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
PubChem CID7080217
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OCC
InChIInChI=1S/C24H24N4O3/c1-4-30-21-10-9-18(14-22(21)31-5-2)23(29)26-19-13-17(8-7-16(19)3)20-15-28-12-6-11-25-24(28)27-20/h6-15H,4-5H2,1-3H3,(H,26,29)
InChIKeyFYPGJLKUCBAASB-UHFFFAOYSA-N
XLogP4.75
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (CID 7080217) is 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is CCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The InChIKey is FYPGJLKUCBAASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-30-21-10-9-18(14-22(21)31-5-2)23(29)26-19-13-17(8-7-16(19)3)20-15-28-12-6-11-25-24(28)27-20/h6-15H,4-5H2,1-3H3,(H,26,29).
What are the key properties of 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 7080217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).