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

C24H24N4O2 — CID 7080212

IUPAC4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1
InChIInChI=1S/C24H24N4O2/c1-3-4-14-30-20-10-8-18(9-11-20)23(29)26-21-15-19(7-6-17(21)2)22-16-28-13-5-12-25-24(28)27-22/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,29)
InChIKeyDJZGWFGFJYBMFV-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.14
Rot. Bonds7

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

4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (PubChem CID 7080212) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
PubChem CID7080212
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1
InChIInChI=1S/C24H24N4O2/c1-3-4-14-30-20-10-8-18(9-11-20)23(29)26-21-15-19(7-6-17(21)2)22-16-28-13-5-12-25-24(28)27-22/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,29)
InChIKeyDJZGWFGFJYBMFV-UHFFFAOYSA-N
XLogP5.14
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.14
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
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285278
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 122285267
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The IUPAC name of 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide (CID 7080212) is 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1.
What is the InChIKey of 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
The InChIKey is DJZGWFGFJYBMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-3-4-14-30-20-10-8-18(9-11-20)23(29)26-21-15-19(7-6-17(21)2)22-16-28-13-5-12-25-24(28)27-22/h5-13,15-16H,3-4,14H2,1-2H3,(H,26,29).
What are the key properties of 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide?
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide is sourced from PubChem (CID 7080212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).