[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone

C24H24BrN5O2 — CID 3474945

About [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone

[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 3474945) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

• Compound Name: [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
• PubChem CID: 3474945
• Molecular Formula: C24H24BrN5O2
• Molecular Weight: 494.39 g/mol
• Exact Mass: 493.11
• IUPAC Name: [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
• SMILES: O=C(c1ccc(Br)o1)N1CCC(c2nccn2Cc2nccn2Cc2ccccc2)CC1
• InChI: InChI=1S/C24H24BrN5O2/c25-21-7-6-20(32-21)24(31)28-12-8-19(9-13-28)23-27-11-15-30(23)17-22-26-10-14-29(22)16-18-4-2-1-3-5-18/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2
• InChIKey: XKZYCWFWDIAVRP-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 69.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.39
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone?

The IUPAC name of [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone (CID 3474945) is [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone.

What is the SMILES notation for [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone?

The canonical SMILES for [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone is O=C(c1ccc(Br)o1)N1CCC(c2nccn2Cc2nccn2Cc2ccccc2)CC1.

What is the InChIKey of [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone?

The InChIKey is XKZYCWFWDIAVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c25-21-7-6-20(32-21)24(31)28-12-8-19(9-13-28)23-27-11-15-30(23)17-22-26-10-14-29(22)16-18-4-2-1-3-5-18/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2.

What are the key properties of [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone?

[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 494.39 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 3474945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).