2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol

C31H36N4O3 — CID 19106646

IUPAC2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
SMILESCOc1ccccc1C(c1ccccc1OC)N1CCN(CC(O)c2nc(-c3ccccc3)[nH]c2C)CC1
InChIInChI=1S/C31H36N4O3/c1-22-29(33-31(32-22)23-11-5-4-6-12-23)26(36)21-34-17-19-35(20-18-34)30(24-13-7-9-15-27(24)37-2)25-14-8-10-16-28(25)38-3/h4-16,26,30,36H,17-21H2,1-3H3,(H,32,33)
InChIKeyWUWXKMLBGHVPEC-UHFFFAOYSA-N
MW512.65 g/mol
LogP4.84
Rot. Bonds9

About 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol

2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol (PubChem CID 19106646) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
PubChem CID19106646
Molecular FormulaC31H36N4O3
Molecular Weight512.65 g/mol
Exact Mass512.28
IUPAC Name2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol
SMILESCOc1ccccc1C(c1ccccc1OC)N1CCN(CC(O)c2nc(-c3ccccc3)[nH]c2C)CC1
InChIInChI=1S/C31H36N4O3/c1-22-29(33-31(32-22)23-11-5-4-6-12-23)26(36)21-34-17-19-35(20-18-34)30(24-13-7-9-15-27(24)37-2)25-14-8-10-16-28(25)38-3/h4-16,26,30,36H,17-21H2,1-3H3,(H,32,33)
InChIKeyWUWXKMLBGHVPEC-UHFFFAOYSA-N
XLogP4.84
TPSA73.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.65
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 14099726
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)ethanol
CID 10071478
1-(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanol
CID 14099732
1-[bis(4-chlorophenyl)methyl]-4-[1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethyl]piperazine;trihydrochloride
CID 22412086
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 30637665
1-benzhydryl-4-[1-[2-(4-tert-butylphenyl)-5-methyl-1H-imidazol-4-yl]ethyl]piperazine
CID 22412025
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
(2S)-1-ethoxy-3-[4-[(1R)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-2-ol
CID 97213571
3-[(R)-(2-methoxyphenyl)-[4-[(S)-(2-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]piperazin-1-yl]methyl]-2-methyl-1H-indole
CID 98146114
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
2-(1,3-dihydroisoindol-2-yl)-1-(2-methoxyphenyl)ethanol
CID 62231982
1-[1,1-bis(2-methoxyphenyl)-3-methyl-2-(5-methyl-2-phenyl-1H-imidazol-4-yl)butan-2-yl]piperazine;trihydrochloride
CID 67738813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol?
The IUPAC name of 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol (CID 19106646) is 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol.
What is the SMILES notation for 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol?
The canonical SMILES for 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol is COc1ccccc1C(c1ccccc1OC)N1CCN(CC(O)c2nc(-c3ccccc3)[nH]c2C)CC1.
What is the InChIKey of 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol?
The InChIKey is WUWXKMLBGHVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-22-29(33-31(32-22)23-11-5-4-6-12-23)26(36)21-34-17-19-35(20-18-34)30(24-13-7-9-15-27(24)37-2)25-14-8-10-16-28(25)38-3/h4-16,26,30,36H,17-21H2,1-3H3,(H,32,33).
What are the key properties of 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol?
2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol has a molecular weight of 512.65 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis(2-methoxyphenyl)methyl]piperazin-1-yl]-1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanol is sourced from PubChem (CID 19106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).