N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C26H27N3O2 — CID 132916096

IUPACN-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCCCCCCNC(=O)c1ccc(-c2cccn3cc(-c4ccccc4O)nc23)cc1
InChIInChI=1S/C26H27N3O2/c1-2-3-4-7-16-27-26(31)20-14-12-19(13-15-20)21-10-8-17-29-18-23(28-25(21)29)22-9-5-6-11-24(22)30/h5-6,8-15,17-18,30H,2-4,7,16H2,1H3,(H,27,31)
InChIKeyWCIVPYRTBSBCMC-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.68
Rot. Bonds8

About N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide

N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 132916096) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID132916096
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCCCCCCNC(=O)c1ccc(-c2cccn3cc(-c4ccccc4O)nc23)cc1
InChIInChI=1S/C26H27N3O2/c1-2-3-4-7-16-27-26(31)20-14-12-19(13-15-20)21-10-8-17-29-18-23(28-25(21)29)22-9-5-6-11-24(22)30/h5-6,8-15,17-18,30H,2-4,7,16H2,1H3,(H,27,31)
InChIKeyWCIVPYRTBSBCMC-UHFFFAOYSA-N
XLogP5.68
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-hydroxybenzamide
CID 15277871
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
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CID 3637649
2-(2-hydroxyphenyl)-7-methylidene-N-octylimidazo[1,5-b][1,2,4]triazole-5-carboxamide
CID 135972573
4-butoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055781
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
N-hexyl-4-propylbenzamide
CID 70894310
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
CID 131885807
CID 131885807
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 132916096) is N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide is CCCCCCNC(=O)c1ccc(-c2cccn3cc(-c4ccccc4O)nc23)cc1.
What is the InChIKey of N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is WCIVPYRTBSBCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-2-3-4-7-16-27-26(31)20-14-12-19(13-15-20)21-10-8-17-29-18-23(28-25(21)29)22-9-5-6-11-24(22)30/h5-6,8-15,17-18,30H,2-4,7,16H2,1H3,(H,27,31).
What are the key properties of N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 5.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 132916096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).