4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

C19H18N4O2 — CID 91793424

About 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid

4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (PubChem CID 91793424) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
• PubChem CID: 91793424
• Molecular Formula: C19H18N4O2
• Molecular Weight: 334.38 g/mol
• Exact Mass: 334.14
• IUPAC Name: 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
• SMILES: O=C(O)c1ccc(-c2nc3c([nH]2)CN(Cc2ccncc2)CC3)cc1
• InChI: InChI=1S/C19H18N4O2/c24-19(25)15-3-1-14(2-4-15)18-21-16-7-10-23(12-17(16)22-18)11-13-5-8-20-9-6-13/h1-6,8-9H,7,10-12H2,(H,21,22)(H,24,25)
• InChIKey: ZNAXHBBFOVVDFU-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 82.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.38
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?

The IUPAC name of 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid (CID 91793424) is 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid.

What is the SMILES notation for 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?

The canonical SMILES for 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is O=C(O)c1ccc(-c2nc3c([nH]2)CN(Cc2ccncc2)CC3)cc1.

What is the InChIKey of 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?

The InChIKey is ZNAXHBBFOVVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-19(25)15-3-1-14(2-4-15)18-21-16-7-10-23(12-17(16)22-18)11-13-5-8-20-9-6-13/h1-6,8-9H,7,10-12H2,(H,21,22)(H,24,25).

What are the key properties of 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid?

4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid has a molecular weight of 334.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(pyridin-4-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 91793424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).