3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide

C23H27F2N3O — CID 18733036

About 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide

3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide (PubChem CID 18733036) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
• PubChem CID: 18733036
• Molecular Formula: C23H27F2N3O
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.21
• IUPAC Name: 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
• SMILES: CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cc(F)ccc21
• InChI: InChI=1S/C23H27F2N3O/c1-5-10-28-21-9-8-18(24)12-20(21)26-22(28)14-27(13-15(2)3)23(29)17-7-6-16(4)19(25)11-17/h6-9,11-12,15H,5,10,13-14H2,1-4H3
• InChIKey: NCNXNYNPBKTMKW-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide?

The IUPAC name of 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide (CID 18733036) is 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide is CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(F)c2)nc2cc(F)ccc21.

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

The InChIKey is NCNXNYNPBKTMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O/c1-5-10-28-21-9-8-18(24)12-20(21)26-22(28)14-27(13-15(2)3)23(29)17-7-6-16(4)19(25)11-17/h6-9,11-12,15H,5,10,13-14H2,1-4H3.

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

3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).