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

C25H29FN4O2 — CID 67033945

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

1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 67033945) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• PubChem CID: 67033945
• Molecular Formula: C25H29FN4O2
• Molecular Weight: 436.53 g/mol
• Exact Mass: 436.23
• IUPAC Name: 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• SMILES: Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)n(-c3cccc(F)c3)c2cc1C
• InChI: InChI=1S/C25H29FN4O2/c1-16-12-22-23(13-17(16)2)30(21-5-3-4-19(26)14-21)25(28-22)29-9-6-18(7-10-29)24(31)27-20-8-11-32-15-20/h3-5,12-14,18,20H,6-11,15H2,1-2H3,(H,27,31)/t20-/m1/s1
• InChIKey: VHGCTDZCIWURCY-HXUWFJFHSA-N
• XLogP: 3.90
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.53
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 67033945) is 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)n(-c3cccc(F)c3)c2cc1C.

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

The InChIKey is VHGCTDZCIWURCY-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-16-12-22-23(13-17(16)2)30(21-5-3-4-19(26)14-21)25(28-22)29-9-6-18(7-10-29)24(31)27-20-8-11-32-15-20/h3-5,12-14,18,20H,6-11,15H2,1-2H3,(H,27,31)/t20-/m1/s1.

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

1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(3-fluorophenyl)-5,6-dimethylbenzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67033945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).