2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

C20H19Cl2N3O — CID 55859713

About 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide

2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (PubChem CID 55859713) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• PubChem CID: 55859713
• Molecular Formula: C20H19Cl2N3O
• Molecular Weight: 388.30 g/mol
• Exact Mass: 387.09
• IUPAC Name: 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
• SMILES: CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
• InChI: InChI=1S/C20H19Cl2N3O/c1-13(2)19-23-8-9-25(19)12-14-4-3-5-16(10-14)24-20(26)17-7-6-15(21)11-18(17)22/h3-11,13H,12H2,1-2H3,(H,24,26)
• InChIKey: REOSOZIONCOKJB-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.30
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The IUPAC name of 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide (CID 55859713) is 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.

What is the InChIKey of 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

The InChIKey is REOSOZIONCOKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-13(2)19-23-8-9-25(19)12-14-4-3-5-16(10-14)24-20(26)17-7-6-15(21)11-18(17)22/h3-11,13H,12H2,1-2H3,(H,24,26).

What are the key properties of 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide?

2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide has a molecular weight of 388.30 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 55859713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).