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

C27H26F2N4O — CID 146456497

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

3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide (PubChem CID 146456497) has the molecular formula C27H26F2N4O and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
• PubChem CID: 146456497
• Molecular Formula: C27H26F2N4O
• Molecular Weight: 460.53 g/mol
• Exact Mass: 460.21
• IUPAC Name: 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide
• SMILES: [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(-c2ccc(F)cc2C)c1
• InChI: InChI=1S/C27H26F2N4O/c1-17-11-23(28)5-6-24(17)21-12-20(16-33-9-8-32(3)27(33)30)13-22(14-21)26(34)31-15-19-4-7-25(29)18(2)10-19/h4-14,30H,15-16H2,1-3H3,(H,31,34)/b30-27+
• InChIKey: LEOZOVLOEOWBAL-KDJFERLWSA-N
• XLogP: 4.85
• TPSA: 62.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.53
LogP ≤ 5	4.85
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-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide?

The IUPAC name of 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide (CID 146456497) is 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide.

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

The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccc(F)c(C)c2)cc(-c2ccc(F)cc2C)c1.

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

The InChIKey is LEOZOVLOEOWBAL-KDJFERLWSA-N. The full InChI is InChI=1S/C27H26F2N4O/c1-17-11-23(28)5-6-24(17)21-12-20(16-33-9-8-32(3)27(33)30)13-22(14-21)26(34)31-15-19-4-7-25(29)18(2)10-19/h4-14,30H,15-16H2,1-3H3,(H,31,34)/b30-27+.

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

3-(4-fluoro-2-methylphenyl)-N-[(4-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 460.53 g/mol, XLogP of 4.85, 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-fluoro-3-methylphenyl)methyl]-5-[(2-imino-3-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 146456497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).