3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide

C26H24F2N4O — CID 146456394

About 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide

3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide (PubChem CID 146456394) has the molecular formula C26H24F2N4O and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
• PubChem CID: 146456394
• Molecular Formula: C26H24F2N4O
• Molecular Weight: 446.50 g/mol
• Exact Mass: 446.19
• IUPAC Name: 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
• SMILES: [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2C)c1
• InChI: InChI=1S/C26H24F2N4O/c1-17-11-23(28)7-8-24(17)20-12-19(16-32-10-9-31(2)26(32)29)13-21(14-20)25(33)30-15-18-3-5-22(27)6-4-18/h3-14,29H,15-16H2,1-2H3,(H,30,33)/b29-26+
• InChIKey: BXZUNLOKCRSVHA-PBBVDAKRSA-N
• XLogP: 4.54
• TPSA: 62.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.50
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide?

The IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide (CID 146456394) is 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide.

What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide?

The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(F)cc2)cc(-c2ccc(F)cc2C)c1.

What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide?

The InChIKey is BXZUNLOKCRSVHA-PBBVDAKRSA-N. The full InChI is InChI=1S/C26H24F2N4O/c1-17-11-23(28)7-8-24(17)20-12-19(16-32-10-9-31(2)26(32)29)13-21(14-20)25(33)30-15-18-3-5-22(27)6-4-18/h3-14,29H,15-16H2,1-2H3,(H,30,33)/b29-26+.

What are the key properties of 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide?

3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 446.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluoro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 146456394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).