2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol

C20H21N3O3 — CID 166620172

About 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol

2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol (PubChem CID 166620172) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
• PubChem CID: 166620172
• Molecular Formula: C20H21N3O3
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.16
• IUPAC Name: 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol
• SMILES: COc1ccc(-c2nccn2[C@@H]2COC[C@H]2Cc2ccncc2)cc1O
• InChI: InChI=1S/C20H21N3O3/c1-25-19-3-2-15(11-18(19)24)20-22-8-9-23(20)17-13-26-12-16(17)10-14-4-6-21-7-5-14/h2-9,11,16-17,24H,10,12-13H2,1H3/t16-,17-/m1/s1
• InChIKey: WSNVGIIHIALDAA-IAGOWNOFSA-N
• XLogP: 3.09
• TPSA: 69.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?

The IUPAC name of 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol (CID 166620172) is 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol.

What is the SMILES notation for 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?

The canonical SMILES for 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol is COc1ccc(-c2nccn2[C@@H]2COC[C@H]2Cc2ccncc2)cc1O.

What is the InChIKey of 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?

The InChIKey is WSNVGIIHIALDAA-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-19-3-2-15(11-18(19)24)20-22-8-9-23(20)17-13-26-12-16(17)10-14-4-6-21-7-5-14/h2-9,11,16-17,24H,10,12-13H2,1H3/t16-,17-/m1/s1.

What are the key properties of 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol?

2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol has a molecular weight of 351.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-5-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]phenol is sourced from PubChem (CID 166620172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).