3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide

C26H26N4O2 — CID 24817266

IUPAC3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-c2cn(CCC(=O)NCc3ccc(C)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-19-3-5-20(6-4-19)17-28-25(31)13-16-30-18-24(21-7-9-23(32-2)10-8-21)29-26(30)22-11-14-27-15-12-22/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,28,31)
InChIKeyLMXFEOAOHLFRFL-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.64
Rot. Bonds8

About 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide

3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 24817266) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID24817266
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide
SMILESCOc1ccc(-c2cn(CCC(=O)NCc3ccc(C)cc3)c(-c3ccncc3)n2)cc1
InChIInChI=1S/C26H26N4O2/c1-19-3-5-20(6-4-19)17-28-25(31)13-16-30-18-24(21-7-9-23(32-2)10-8-21)29-26(30)22-11-14-27-15-12-22/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,28,31)
InChIKeyLMXFEOAOHLFRFL-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide (CID 24817266) is 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide is COc1ccc(-c2cn(CCC(=O)NCc3ccc(C)cc3)c(-c3ccncc3)n2)cc1.
What is the InChIKey of 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is LMXFEOAOHLFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19-3-5-20(6-4-19)17-28-25(31)13-16-30-18-24(21-7-9-23(32-2)10-8-21)29-26(30)22-11-14-27-15-12-22/h3-12,14-15,18H,13,16-17H2,1-2H3,(H,28,31).
What are the key properties of 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide?
3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methoxyphenyl)-2-pyridin-4-ylimidazol-1-yl]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 24817266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).