4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C25H25N3O2 — CID 121055735

IUPAC4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-4-14-30-22-10-8-19(9-11-22)25(29)26-21-7-5-6-20(16-21)23-17-28-13-12-18(2)15-24(28)27-23/h5-13,15-17H,3-4,14H2,1-2H3,(H,26,29)
InChIKeyMIGGOAMRKCPFIH-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.74
Rot. Bonds7

About 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 121055735) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID121055735
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1
InChIInChI=1S/C25H25N3O2/c1-3-4-14-30-22-10-8-19(9-11-22)25(29)26-21-7-5-6-20(16-21)23-17-28-13-12-18(2)15-24(28)27-23/h5-13,15-17H,3-4,14H2,1-2H3,(H,26,29)
InChIKeyMIGGOAMRKCPFIH-UHFFFAOYSA-N
XLogP5.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028764
4-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028698
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
3,5-dimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121090021
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
5-bromo-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122284885
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenoxybenzamide
CID 122284880
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 121089744
4-butoxy-N-[3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzamide
CID 7532442
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 122284871
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]butane-1-sulfonamide
CID 122284854

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 121055735) is 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is MIGGOAMRKCPFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-4-14-30-22-10-8-19(9-11-22)25(29)26-21-7-5-6-20(16-21)23-17-28-13-12-18(2)15-24(28)27-23/h5-13,15-17H,3-4,14H2,1-2H3,(H,26,29).
What are the key properties of 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 121055735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).