2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

C19H23N5O2 — CID 56715566

About 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 56715566) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• PubChem CID: 56715566
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• SMILES: CCOc1cc(C2c3nc[nH]c3CCN2Cc2nc[nH]c2C)ccc1O
• InChI: InChI=1S/C19H23N5O2/c1-3-26-17-8-13(4-5-16(17)25)19-18-14(21-11-23-18)6-7-24(19)9-15-12(2)20-10-22-15/h4-5,8,10-11,19,25H,3,6-7,9H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: VYLHUKKXJNJUAC-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 90.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The IUPAC name of 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 56715566) is 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

What is the SMILES notation for 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The canonical SMILES for 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is CCOc1cc(C2c3nc[nH]c3CCN2Cc2nc[nH]c2C)ccc1O.

What is the InChIKey of 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The InChIKey is VYLHUKKXJNJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-26-17-8-13(4-5-16(17)25)19-18-14(21-11-23-18)6-7-24(19)9-15-12(2)20-10-22-15/h4-5,8,10-11,19,25H,3,6-7,9H2,1-2H3,(H,20,22)(H,21,23).

What are the key properties of 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 353.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-4-[5-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 56715566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).