3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

C20H25N5O — CID 56707792

About 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol

3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 56707792) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• PubChem CID: 56707792
• Molecular Formula: C20H25N5O
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.21
• IUPAC Name: 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• SMILES: CCCCc1ncc(CN2CCc3[nH]cnc3C2c2cccc(O)c2)[nH]1
• InChI: InChI=1S/C20H25N5O/c1-2-3-7-18-21-11-15(24-18)12-25-9-8-17-19(23-13-22-17)20(25)14-5-4-6-16(26)10-14/h4-6,10-11,13,20,26H,2-3,7-9,12H2,1H3,(H,21,24)(H,22,23)
• InChIKey: HYLUOXCJZNQNFI-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 80.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The IUPAC name of 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 56707792) is 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

What is the SMILES notation for 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The canonical SMILES for 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is CCCCc1ncc(CN2CCc3[nH]cnc3C2c2cccc(O)c2)[nH]1.

What is the InChIKey of 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

The InChIKey is HYLUOXCJZNQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-3-7-18-21-11-15(24-18)12-25-9-8-17-19(23-13-22-17)20(25)14-5-4-6-16(26)10-14/h4-6,10-11,13,20,26H,2-3,7-9,12H2,1H3,(H,21,24)(H,22,23).

What are the key properties of 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol?

3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 351.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 56707792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).