1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C29H38N4O2 — CID 67034050

About 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 67034050) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• PubChem CID: 67034050
• Molecular Formula: C29H38N4O2
• Molecular Weight: 474.65 g/mol
• Exact Mass: 474.30
• IUPAC Name: 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• SMILES: CCc1cc(CC)cc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(C)c(C)cc32)c1
• InChI: InChI=1S/C29H38N4O2/c1-5-21-15-22(6-2)17-25(16-21)33-27-14-20(4)19(3)13-26(27)31-29(33)32-10-7-23(8-11-32)28(34)30-24-9-12-35-18-24/h13-17,23-24H,5-12,18H2,1-4H3,(H,30,34)/t24-/m1/s1
• InChIKey: RRQCRSUZUJESRF-XMMPIXPASA-N
• XLogP: 4.89
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.65
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 67034050) is 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is CCc1cc(CC)cc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(C)c(C)cc32)c1.

What is the InChIKey of 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?

The InChIKey is RRQCRSUZUJESRF-XMMPIXPASA-N. The full InChI is InChI=1S/C29H38N4O2/c1-5-21-15-22(6-2)17-25(16-21)33-27-14-20(4)19(3)13-26(27)31-29(33)32-10-7-23(8-11-32)28(34)30-24-9-12-35-18-24/h13-17,23-24H,5-12,18H2,1-4H3,(H,30,34)/t24-/m1/s1.

What are the key properties of 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?

1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3,5-diethylphenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67034050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).