[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

C27H27N5O2 — CID 110150630

About [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone

[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 110150630) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• PubChem CID: 110150630
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cccc(Oc2nccnc2C2CCCN(C(=O)c3ccccc3Cn3ccnc3)C2)c1
• InChI: InChI=1S/C27H27N5O2/c1-20-6-4-9-23(16-20)34-26-25(29-11-12-30-26)22-8-5-14-32(18-22)27(33)24-10-3-2-7-21(24)17-31-15-13-28-19-31/h2-4,6-7,9-13,15-16,19,22H,5,8,14,17-18H2,1H3
• InChIKey: HBNOZBNXDHMFRZ-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 73.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The IUPAC name of [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone (CID 110150630) is [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is Cc1cccc(Oc2nccnc2C2CCCN(C(=O)c3ccccc3Cn3ccnc3)C2)c1.

What is the InChIKey of [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

The InChIKey is HBNOZBNXDHMFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-20-6-4-9-23(16-20)34-26-25(29-11-12-30-26)22-8-5-14-32(18-22)27(33)24-10-3-2-7-21(24)17-31-15-13-28-19-31/h2-4,6-7,9-13,15-16,19,22H,5,8,14,17-18H2,1H3.

What are the key properties of [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone?

[2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 453.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110150630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).