[3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride

C40H30Cl2F2N4O2 — CID 67046272

About [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride

[3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride (PubChem CID 67046272) has the molecular formula C40H30Cl2F2N4O2 and a molecular weight of 707.61 g/mol. Its IUPAC name is [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride.

Molecular Properties

• Compound Name: [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride
• PubChem CID: 67046272
• Molecular Formula: C40H30Cl2F2N4O2
• Molecular Weight: 707.61 g/mol
• Exact Mass: 706.17
• IUPAC Name: [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride
• SMILES: Cl.OCc1cccc(-c2ccc3nc(-c4ccc(F)c(F)c4)cn3c2)c1.OCc1cccc(-c2ccc3nc(-c4ccccc4Cl)cn3c2)c1
• InChI: InChI=1S/C20H15ClN2O.C20H14F2N2O.ClH/c21-18-7-2-1-6-17(18)19-12-23-11-16(8-9-20(23)22-19)15-5-3-4-14(10-15)13-24;21-17-6-4-15(9-18(17)22)19-11-24-10-16(5-7-20(24)23-19)14-3-1-2-13(8-14)12-25;/h1-12,24H,13H2;1-11,25H,12H2;1H
• InChIKey: BJQHJYYPSGPNCK-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 75.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.61
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride?

The IUPAC name of [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride (CID 67046272) is [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride.

What is the SMILES notation for [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride?

The canonical SMILES for [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride is Cl.OCc1cccc(-c2ccc3nc(-c4ccc(F)c(F)c4)cn3c2)c1.OCc1cccc(-c2ccc3nc(-c4ccccc4Cl)cn3c2)c1.

What is the InChIKey of [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride?

The InChIKey is BJQHJYYPSGPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O.C20H14F2N2O.ClH/c21-18-7-2-1-6-17(18)19-12-23-11-16(8-9-20(23)22-19)15-5-3-4-14(10-15)13-24;21-17-6-4-15(9-18(17)22)19-11-24-10-16(5-7-20(24)23-19)14-3-1-2-13(8-14)12-25;/h1-12,24H,13H2;1-11,25H,12H2;1H.

What are the key properties of [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride?

[3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride has a molecular weight of 707.61 g/mol, XLogP of 9.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(2-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;[3-[2-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanol;hydrochloride is sourced from PubChem (CID 67046272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).