2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol

C23H22N4O2 — CID 59700026

About 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol

2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol (PubChem CID 59700026) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol.

Molecular Properties

• Compound Name: 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
• PubChem CID: 59700026
• Molecular Formula: C23H22N4O2
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.17
• IUPAC Name: 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
• SMILES: COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4(O)NCCN4)c3)cc12
• InChI: InChI=1S/C23H22N4O2/c1-29-21-8-3-2-7-18(21)20-14-25-22-19(20)12-16(13-24-22)15-5-4-6-17(11-15)23(28)26-9-10-27-23/h2-8,11-14,26-28H,9-10H2,1H3,(H,24,25)
• InChIKey: KLJPHOWEMVIPKG-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 82.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The IUPAC name of 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol (CID 59700026) is 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol.

What is the SMILES notation for 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The canonical SMILES for 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol is COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C4(O)NCCN4)c3)cc12.

What is the InChIKey of 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

The InChIKey is KLJPHOWEMVIPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-21-8-3-2-7-18(21)20-14-25-22-19(20)12-16(13-24-22)15-5-4-6-17(11-15)23(28)26-9-10-27-23/h2-8,11-14,26-28H,9-10H2,1H3,(H,24,25).

What are the key properties of 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol?

2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol has a molecular weight of 386.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol is sourced from PubChem (CID 59700026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).