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

C25H26N4O4 — CID 27652156

IUPAC3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H26N4O4/c1-4-31-21-14-18(15-22(32-5-2)23(21)33-6-3)24(30)27-19-10-7-9-17(13-19)20-16-29-12-8-11-26-25(29)28-20/h7-16H,4-6H2,1-3H3,(H,27,30)
InChIKeySPEMOJKZZATELW-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.84
Rot. Bonds9

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

3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide (PubChem CID 27652156) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
PubChem CID27652156
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H26N4O4/c1-4-31-21-14-18(15-22(32-5-2)23(21)33-6-3)24(30)27-19-10-7-9-17(13-19)20-16-29-12-8-11-26-25(29)28-20/h7-16H,4-6H2,1-3H3,(H,27,30)
InChIKeySPEMOJKZZATELW-UHFFFAOYSA-N
XLogP4.84
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
CID 122285068
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
1-(2-ethylphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033112
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-8-methylquinoline-5-carboxamide
CID 167780331

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide (CID 27652156) is 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide is CCOc1cc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The InChIKey is SPEMOJKZZATELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-4-31-21-14-18(15-22(32-5-2)23(21)33-6-3)24(30)27-19-10-7-9-17(13-19)20-16-29-12-8-11-26-25(29)28-20/h7-16H,4-6H2,1-3H3,(H,27,30).
What are the key properties of 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide is sourced from PubChem (CID 27652156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).