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

C24H24N4O2 — CID 122285167

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-3-4-15-30-21-11-9-18(10-12-21)23(29)26-20-8-5-7-19(16-20)22-17-28-14-6-13-25-24(28)27-22/h5-14,16-17H,2-4,15H2,1H3,(H,26,29)
InChIKeyGRWZXNSOTKJDTD-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.22
Rot. Bonds8

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

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide (PubChem CID 122285167) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
PubChem CID122285167
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-3-4-15-30-21-11-9-18(10-12-21)23(29)26-20-8-5-7-19(16-20)22-17-28-14-6-13-25-24(28)27-22/h5-14,16-17H,2-4,15H2,1H3,(H,26,29)
InChIKeyGRWZXNSOTKJDTD-UHFFFAOYSA-N
XLogP5.22
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055735
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
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-ethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028764

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide (CID 122285167) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide?
The InChIKey is GRWZXNSOTKJDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-3-4-15-30-21-11-9-18(10-12-21)23(29)26-20-8-5-7-19(16-20)22-17-28-14-6-13-25-24(28)27-22/h5-14,16-17H,2-4,15H2,1H3,(H,26,29).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide is sourced from PubChem (CID 122285167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).