2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C22H27Cl2FN4O2 — CID 120800893

About 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120800893) has the molecular formula C22H27Cl2FN4O2 and a molecular weight of 469.39 g/mol. Its IUPAC name is 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
• PubChem CID: 120800893
• Molecular Formula: C22H27Cl2FN4O2
• Molecular Weight: 469.39 g/mol
• Exact Mass: 468.15
• IUPAC Name: 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
• SMILES: Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(N)C1CCOCC1.Cl.Cl
• InChI: InChI=1S/C22H25FN4O2.2ClH/c1-13-11-15(21-25-18-12-16(23)4-6-19(18)27(21)2)3-5-17(13)26-22(28)20(24)14-7-9-29-10-8-14;;/h3-6,11-12,14,20H,7-10,24H2,1-2H3,(H,26,28);2*1H
• InChIKey: NPJSHFVAYOOBPK-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 82.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.39
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The IUPAC name of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120800893) is 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

What is the SMILES notation for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The canonical SMILES for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cc1cc(-c2nc3cc(F)ccc3n2C)ccc1NC(=O)C(N)C1CCOCC1.Cl.Cl.

What is the InChIKey of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?

The InChIKey is NPJSHFVAYOOBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2.2ClH/c1-13-11-15(21-25-18-12-16(23)4-6-19(18)27(21)2)3-5-17(13)26-22(28)20(24)14-7-9-29-10-8-14;;/h3-6,11-12,14,20H,7-10,24H2,1-2H3,(H,26,28);2*1H.

What are the key properties of 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride?

2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 469.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[4-(5-fluoro-1-methylbenzimidazol-2-yl)-2-methylphenyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120800893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).