[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol

C28H32N6O2 — CID 91336043

About [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol

[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol (PubChem CID 91336043) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol.

Molecular Properties

• Compound Name: [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
• PubChem CID: 91336043
• Molecular Formula: C28H32N6O2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.26
• IUPAC Name: [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol
• SMILES: OCc1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc(C3CCCN3)[nH]2)cc1CO
• InChI: InChI=1S/C28H32N6O2/c35-15-19-11-17(25-13-31-27(33-25)23-3-1-9-29-23)5-7-21(19)22-8-6-18(12-20(22)16-36)26-14-32-28(34-26)24-4-2-10-30-24/h5-8,11-14,23-24,29-30,35-36H,1-4,9-10,15-16H2,(H,31,33)(H,32,34)
• InChIKey: ZRTYAECNEIHIRB-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 121.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol?

The IUPAC name of [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol (CID 91336043) is [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol.

What is the SMILES notation for [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol?

The canonical SMILES for [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol is OCc1cc(-c2cnc(C3CCCN3)[nH]2)ccc1-c1ccc(-c2cnc(C3CCCN3)[nH]2)cc1CO.

What is the InChIKey of [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol?

The InChIKey is ZRTYAECNEIHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c35-15-19-11-17(25-13-31-27(33-25)23-3-1-9-29-23)5-7-21(19)22-8-6-18(12-20(22)16-36)26-14-32-28(34-26)24-4-2-10-30-24/h5-8,11-14,23-24,29-30,35-36H,1-4,9-10,15-16H2,(H,31,33)(H,32,34).

What are the key properties of [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol?

[2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol has a molecular weight of 484.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(hydroxymethyl)-4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]-5-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]methanol is sourced from PubChem (CID 91336043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).