1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide

C28H29BrN4O — CID 124794466

About 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide

1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 124794466) has the molecular formula C28H29BrN4O and a molecular weight of 517.47 g/mol. Its IUPAC name is 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
• PubChem CID: 124794466
• Molecular Formula: C28H29BrN4O
• Molecular Weight: 517.47 g/mol
• Exact Mass: 516.15
• IUPAC Name: 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c(C)c1
• InChI: InChI=1S/C28H29BrN4O/c1-19-10-11-24(20(2)16-19)31-28(34)21-12-14-32(15-13-21)18-27-30-25-8-3-4-9-26(25)33(27)23-7-5-6-22(29)17-23/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,31,34)
• InChIKey: MILVRFFKDOKSTD-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.47
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?

The IUPAC name of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide (CID 124794466) is 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?

The canonical SMILES for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c(C)c1.

What is the InChIKey of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?

The InChIKey is MILVRFFKDOKSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN4O/c1-19-10-11-24(20(2)16-19)31-28(34)21-12-14-32(15-13-21)18-27-30-25-8-3-4-9-26(25)33(27)23-7-5-6-22(29)17-23/h3-11,16-17,21H,12-15,18H2,1-2H3,(H,31,34).

What are the key properties of 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide?

1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 517.47 g/mol, XLogP of 6.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 124794466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).