N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide

C24H24N4O2 — CID 142595755

IUPACN-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2cn3cc(OC)cnc3n2)ccc1C)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-20(17-8-6-5-7-9-17)23(29)26-21-12-18(11-10-16(21)2)22-15-28-14-19(30-3)13-25-24(28)27-22/h5-15,20H,4H2,1-3H3,(H,26,29)
InChIKeyYYPTULAVBAEBDC-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.85
Rot. Bonds6

About N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide

N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide (PubChem CID 142595755) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide
PubChem CID142595755
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2cn3cc(OC)cnc3n2)ccc1C)c1ccccc1
InChIInChI=1S/C24H24N4O2/c1-4-20(17-8-6-5-7-9-17)23(29)26-21-12-18(11-10-16(21)2)22-15-28-14-19(30-3)13-25-24(28)27-22/h5-15,20H,4H2,1-3H3,(H,26,29)
InChIKeyYYPTULAVBAEBDC-UHFFFAOYSA-N
XLogP4.85
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide?
The IUPAC name of N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide (CID 142595755) is N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide?
The canonical SMILES for N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cc(-c2cn3cc(OC)cnc3n2)ccc1C)c1ccccc1.
What is the InChIKey of N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide?
The InChIKey is YYPTULAVBAEBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-20(17-8-6-5-7-9-17)23(29)26-21-12-18(11-10-16(21)2)22-15-28-14-19(30-3)13-25-24(28)27-22/h5-15,20H,4H2,1-3H3,(H,26,29).
What are the key properties of N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide?
N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide has a molecular weight of 400.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide is sourced from PubChem (CID 142595755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).