1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C20H20N4O2 — CID 91793391

About 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 91793391) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
• PubChem CID: 91793391
• Molecular Formula: C20H20N4O2
• Molecular Weight: 348.41 g/mol
• Exact Mass: 348.16
• IUPAC Name: 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
• SMILES: O=C(Cc1ccccn1)N1CCc2nc(-c3cccc(CO)c3)[nH]c2C1
• InChI: InChI=1S/C20H20N4O2/c25-13-14-4-3-5-15(10-14)20-22-17-7-9-24(12-18(17)23-20)19(26)11-16-6-1-2-8-21-16/h1-6,8,10,25H,7,9,11-13H2,(H,22,23)
• InChIKey: CGALUZBWMNOLBF-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.41
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 91793391) is 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCc2nc(-c3cccc(CO)c3)[nH]c2C1.

What is the InChIKey of 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

The InChIKey is CGALUZBWMNOLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-13-14-4-3-5-15(10-14)20-22-17-7-9-24(12-18(17)23-20)19(26)11-16-6-1-2-8-21-16/h1-6,8,10,25H,7,9,11-13H2,(H,22,23).

What are the key properties of 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone?

1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 348.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 91793391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).