(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C26H34N4O — CID 124819999

About (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 124819999) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• PubChem CID: 124819999
• Molecular Formula: C26H34N4O
• Molecular Weight: 418.59 g/mol
• Exact Mass: 418.27
• IUPAC Name: (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)cc1
• InChI: InChI=1S/C26H34N4O/c1-18(2)20-11-13-22(14-12-20)27-26(31)21-8-7-15-29(16-21)17-25-28-23-9-5-6-10-24(23)30(25)19(3)4/h5-6,9-14,18-19,21H,7-8,15-17H2,1-4H3,(H,27,31)/t21-/m0/s1
• InChIKey: FFKLMJMTYWCOTL-NRFANRHFSA-N
• XLogP: 5.59
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.59
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The IUPAC name of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 124819999) is (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

What is the SMILES notation for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The canonical SMILES for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)cc1.

What is the InChIKey of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

The InChIKey is FFKLMJMTYWCOTL-NRFANRHFSA-N. The full InChI is InChI=1S/C26H34N4O/c1-18(2)20-11-13-22(14-12-20)27-26(31)21-8-7-15-29(16-21)17-25-28-23-9-5-6-10-24(23)30(25)19(3)4/h5-6,9-14,18-19,21H,7-8,15-17H2,1-4H3,(H,27,31)/t21-/m0/s1.

What are the key properties of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?

(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 418.59 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 124819999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).