N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide

C26H20N4O2 — CID 122285789

IUPACN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide
SMILESCc1c(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3)c2)nc2ncccn12
InChIInChI=1S/C26H20N4O2/c1-18-24(29-26-27-15-8-16-30(18)26)19-9-7-10-20(17-19)28-25(31)22-13-5-6-14-23(22)32-21-11-3-2-4-12-21/h2-17H,1H3,(H,28,31)
InChIKeyICYTZMVCGGCOOI-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.75
Rot. Bonds5

About N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide

N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide (PubChem CID 122285789) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide
PubChem CID122285789
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide
SMILESCc1c(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3)c2)nc2ncccn12
InChIInChI=1S/C26H20N4O2/c1-18-24(29-26-27-15-8-16-30(18)26)19-9-7-10-20(17-19)28-25(31)22-13-5-6-14-23(22)32-21-11-3-2-4-12-21/h2-17H,1H3,(H,28,31)
InChIKeyICYTZMVCGGCOOI-UHFFFAOYSA-N
XLogP5.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide?
The IUPAC name of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide (CID 122285789) is N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide.
What is the SMILES notation for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide?
The canonical SMILES for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide is Cc1c(-c2cccc(NC(=O)c3ccccc3Oc3ccccc3)c2)nc2ncccn12.
What is the InChIKey of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide?
The InChIKey is ICYTZMVCGGCOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-18-24(29-26-27-15-8-16-30(18)26)19-9-7-10-20(17-19)28-25(31)22-13-5-6-14-23(22)32-21-11-3-2-4-12-21/h2-17H,1H3,(H,28,31).
What are the key properties of N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide?
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide has a molecular weight of 420.47 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenoxybenzamide is sourced from PubChem (CID 122285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).