N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide

C23H27F2N3O — CID 18733321

About N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide

N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733321) has the molecular formula C23H27F2N3O and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
• PubChem CID: 18733321
• Molecular Formula: C23H27F2N3O
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.21
• IUPAC Name: N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide
• SMILES: CCCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21
• InChI: InChI=1S/C23H27F2N3O/c1-4-5-13-28-20-12-7-6-11-19(20)26-21(28)15-27(14-16(2)3)23(29)17-9-8-10-18(24)22(17)25/h6-12,16H,4-5,13-15H2,1-3H3
• InChIKey: DFRJSMYFMDEKGK-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 38.13 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide (CID 18733321) is N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide is CCCCn1c(CN(CC(C)C)C(=O)c2cccc(F)c2F)nc2ccccc21.

What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide?

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

What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide?

N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide has a molecular weight of 399.49 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-butylbenzimidazol-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).