N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide

C27H21N3O2 — CID 121149300

IUPACN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C27H21N3O2/c1-19-8-7-17-30-18-25(28-26(19)30)23-11-5-6-12-24(23)29-27(31)20-13-15-22(16-14-20)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31)
InChIKeyZEQPLFXTPOJYGN-UHFFFAOYSA-N
MW419.48 g/mol
LogP6.35
Rot. Bonds5

About N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide

N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide (PubChem CID 121149300) has the molecular formula C27H21N3O2 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide
PubChem CID121149300
Molecular FormulaC27H21N3O2
Molecular Weight419.48 g/mol
Exact Mass419.16
IUPAC NameN-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C27H21N3O2/c1-19-8-7-17-30-18-25(28-26(19)30)23-11-5-6-12-24(23)29-27(31)20-13-15-22(16-14-20)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31)
InChIKeyZEQPLFXTPOJYGN-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-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide?
The IUPAC name of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide (CID 121149300) is N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide?
The canonical SMILES for N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide is Cc1cccn2cc(-c3ccccc3NC(=O)c3ccc(Oc4ccccc4)cc3)nc12.
What is the InChIKey of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide?
The InChIKey is ZEQPLFXTPOJYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2/c1-19-8-7-17-30-18-25(28-26(19)30)23-11-5-6-12-24(23)29-27(31)20-13-15-22(16-14-20)32-21-9-3-2-4-10-21/h2-18H,1H3,(H,29,31).
What are the key properties of N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide?
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-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-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide is sourced from PubChem (CID 121149300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).