(2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide

C22H25FN4O — CID 126441068

About (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide

(2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 126441068) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide
• PubChem CID: 126441068
• Molecular Formula: C22H25FN4O
• Molecular Weight: 380.47 g/mol
• Exact Mass: 380.20
• IUPAC Name: (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide
• SMILES: Cc1cc(C)cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1
• InChI: InChI=1S/C22H25FN4O/c1-14-9-15(2)11-16(10-14)13-24-22(28)27-8-4-3-5-20(27)21-25-18-7-6-17(23)12-19(18)26-21/h6-7,9-12,20H,3-5,8,13H2,1-2H3,(H,24,28)(H,25,26)/t20-/m1/s1
• InChIKey: ZABIOACGVNVPCR-HXUWFJFHSA-N
• XLogP: 4.76
• TPSA: 61.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.47
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide?

The IUPAC name of (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide (CID 126441068) is (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide.

What is the SMILES notation for (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide?

The canonical SMILES for (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide is Cc1cc(C)cc(CNC(=O)N2CCCC[C@@H]2c2nc3ccc(F)cc3[nH]2)c1.

What is the InChIKey of (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide?

The InChIKey is ZABIOACGVNVPCR-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-14-9-15(2)11-16(10-14)13-24-22(28)27-8-4-3-5-20(27)21-25-18-7-6-17(23)12-19(18)26-21/h6-7,9-12,20H,3-5,8,13H2,1-2H3,(H,24,28)(H,25,26)/t20-/m1/s1.

What are the key properties of (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide?

(2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126441068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).