(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C19H22N6O — CID 72870005

About (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72870005) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 72870005
• Molecular Formula: C19H22N6O
• Molecular Weight: 350.43 g/mol
• Exact Mass: 350.19
• IUPAC Name: (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cnc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)[nH]1
• InChI: InChI=1S/C19H22N6O/c1-14-11-22-17(23-14)19(26)24-8-4-16(5-9-24)18-21-7-10-25(18)13-15-3-2-6-20-12-15/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,22,23)
• InChIKey: FFJGMOBJBQDZEV-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.43
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72870005) is (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC(c3nccn3Cc3cccnc3)CC2)[nH]1.

What is the InChIKey of (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is FFJGMOBJBQDZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-11-22-17(23-14)19(26)24-8-4-16(5-9-24)18-21-7-10-25(18)13-15-3-2-6-20-12-15/h2-3,6-7,10-12,16H,4-5,8-9,13H2,1H3,(H,22,23).

What are the key properties of (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?

(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72870005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).