N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide

C27H21N3O2 — CID 122283536

IUPACN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H21N3O2/c1-19-14-15-20(24-18-30-16-8-7-13-26(30)28-24)17-23(19)29-27(31)22-11-5-6-12-25(22)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31)
InChIKeyIGVKWYOOZORNSF-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.35
Rot. Bonds5

About N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide

N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide (PubChem CID 122283536) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide
PubChem CID122283536
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide
SMILESCc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H21N3O2/c1-19-14-15-20(24-18-30-16-8-7-13-26(30)28-24)17-23(19)29-27(31)22-11-5-6-12-25(22)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31)
InChIKeyIGVKWYOOZORNSF-UHFFFAOYSA-N
XLogP6.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide (CID 122283536) is N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide is Cc1ccc(-c2cn3ccccc3n2)cc1NC(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide?
The InChIKey is IGVKWYOOZORNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-19-14-15-20(24-18-30-16-8-7-13-26(30)28-24)17-23(19)29-27(31)22-11-5-6-12-25(22)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31).
What are the key properties of N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide?
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide has a molecular weight of 419.48 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)-2-phenoxybenzamide is sourced from PubChem (CID 122283536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).