N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide

C31H28N4O — CID 24819989

IUPACN-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3cc(-c4ccc(C)cc4)nc3-c3ccncc3)cc2)cc1
InChIInChI=1S/C31H28N4O/c1-22-3-7-24(8-4-22)19-33-31(36)28-13-9-25(10-14-28)20-35-21-29(26-11-5-23(2)6-12-26)34-30(35)27-15-17-32-18-16-27/h3-18,21H,19-20H2,1-2H3,(H,33,36)
InChIKeyZKMKWFWKIHHSEY-UHFFFAOYSA-N
MW472.59 g/mol
LogP6.21
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide

N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide (PubChem CID 24819989) has the molecular formula C31H28N4O and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide
PubChem CID24819989
Molecular FormulaC31H28N4O
Molecular Weight472.59 g/mol
Exact Mass472.23
IUPAC NameN-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccc(Cn3cc(-c4ccc(C)cc4)nc3-c3ccncc3)cc2)cc1
InChIInChI=1S/C31H28N4O/c1-22-3-7-24(8-4-22)19-33-31(36)28-13-9-25(10-14-28)20-35-21-29(26-11-5-23(2)6-12-26)34-30(35)27-15-17-32-18-16-27/h3-18,21H,19-20H2,1-2H3,(H,33,36)
InChIKeyZKMKWFWKIHHSEY-UHFFFAOYSA-N
XLogP6.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide (CID 24819989) is N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide is Cc1ccc(CNC(=O)c2ccc(Cn3cc(-c4ccc(C)cc4)nc3-c3ccncc3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide?
The InChIKey is ZKMKWFWKIHHSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O/c1-22-3-7-24(8-4-22)19-33-31(36)28-13-9-25(10-14-28)20-35-21-29(26-11-5-23(2)6-12-26)34-30(35)27-15-17-32-18-16-27/h3-18,21H,19-20H2,1-2H3,(H,33,36).
What are the key properties of N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide?
N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide has a molecular weight of 472.59 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-[[4-(4-methylphenyl)-2-pyridin-4-ylimidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 24819989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).