2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole

C26H30N6 — CID 95813947

About 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole

2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole (PubChem CID 95813947) has the molecular formula C26H30N6 and a molecular weight of 426.57 g/mol. Its IUPAC name is 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole.

Molecular Properties

• Compound Name: 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
• PubChem CID: 95813947
• Molecular Formula: C26H30N6
• Molecular Weight: 426.57 g/mol
• Exact Mass: 426.25
• IUPAC Name: 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole
• SMILES: Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1
• InChI: InChI=1S/C26H30N6/c1-18(2)32-25-9-5-4-8-23(25)30-26(32)16-31-10-6-7-20(15-31)24-12-21(11-19(3)29-24)22-13-27-17-28-14-22/h4-5,8-9,11-14,17-18,20H,6-7,10,15-16H2,1-3H3/t20-/m1/s1
• InChIKey: YWKNROIRKRMSAS-HXUWFJFHSA-N
• XLogP: 5.16
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.57
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole?

The IUPAC name of 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole (CID 95813947) is 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole.

What is the SMILES notation for 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole?

The canonical SMILES for 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole is Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1.

What is the InChIKey of 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole?

The InChIKey is YWKNROIRKRMSAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30N6/c1-18(2)32-25-9-5-4-8-23(25)30-26(32)16-31-10-6-7-20(15-31)24-12-21(11-19(3)29-24)22-13-27-17-28-14-22/h4-5,8-9,11-14,17-18,20H,6-7,10,15-16H2,1-3H3/t20-/m1/s1.

What are the key properties of 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole?

2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole has a molecular weight of 426.57 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methyl]-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 95813947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).