2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol

C22H31N5O2 — CID 171780756

About 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol

2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol (PubChem CID 171780756) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol.

Molecular Properties

• Compound Name: 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol
• PubChem CID: 171780756
• Molecular Formula: C22H31N5O2
• Molecular Weight: 397.52 g/mol
• Exact Mass: 397.25
• IUPAC Name: 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol
• SMILES: COc1ccc(-c2[nH]ncc2CN2CCC(C3NC=C(C)N3CCO)CC2)cc1
• InChI: InChI=1S/C22H31N5O2/c1-16-13-23-22(27(16)11-12-28)18-7-9-26(10-8-18)15-19-14-24-25-21(19)17-3-5-20(29-2)6-4-17/h3-6,13-14,18,22-23,28H,7-12,15H2,1-2H3,(H,24,25)
• InChIKey: ZPUZQBIAXXKRMW-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 76.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.52
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol?

The IUPAC name of 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol (CID 171780756) is 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol.

What is the SMILES notation for 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol?

The canonical SMILES for 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol is COc1ccc(-c2[nH]ncc2CN2CCC(C3NC=C(C)N3CCO)CC2)cc1.

What is the InChIKey of 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol?

The InChIKey is ZPUZQBIAXXKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-16-13-23-22(27(16)11-12-28)18-7-9-26(10-8-18)15-19-14-24-25-21(19)17-3-5-20(29-2)6-4-17/h3-6,13-14,18,22-23,28H,7-12,15H2,1-2H3,(H,24,25).

What are the key properties of 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol?

2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol has a molecular weight of 397.52 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-4-methyl-1,2-dihydroimidazol-3-yl]ethanol is sourced from PubChem (CID 171780756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).