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

C23H22N4O2 — CID 7080161

IUPAC4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-3-14-29-20-10-8-17(9-11-20)22(28)25-19-7-4-6-18(15-19)21-16-27-13-5-12-24-23(27)26-21/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)
InChIKeyGHINCFXHWXWFOQ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.83
Rot. Bonds7

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

4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide (PubChem CID 7080161) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
PubChem CID7080161
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-3-14-29-20-10-8-17(9-11-20)22(28)25-19-7-4-6-18(15-19)21-16-27-13-5-12-24-23(27)26-21/h4-13,15-16H,2-3,14H2,1H3,(H,25,28)
InChIKeyGHINCFXHWXWFOQ-UHFFFAOYSA-N
XLogP4.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.83
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

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
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-ethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028764
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The IUPAC name of 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide (CID 7080161) is 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1.
What is the InChIKey of 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
The InChIKey is GHINCFXHWXWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-3-14-29-20-10-8-17(9-11-20)22(28)25-19-7-4-6-18(15-19)21-16-27-13-5-12-24-23(27)26-21/h4-13,15-16H,2-3,14H2,1H3,(H,25,28).
What are the key properties of 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide?
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide has a molecular weight of 386.46 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide is sourced from PubChem (CID 7080161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).