4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol

C21H24N4O2 — CID 75592539

IUPAC4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol
SMILESCOCC1CC(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)NN1
InChIInChI=1S/C21H24N4O2/c1-27-13-18-11-17(23-24-18)12-25-14-22-20(15-5-3-2-4-6-15)21(25)16-7-9-19(26)10-8-16/h2-10,14,17-18,23-24,26H,11-13H2,1H3
InChIKeyTUXJTSOMOORRSH-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.80
Rot. Bonds6

About 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol

4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol (PubChem CID 75592539) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol
PubChem CID75592539
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol
SMILESCOCC1CC(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)NN1
InChIInChI=1S/C21H24N4O2/c1-27-13-18-11-17(23-24-18)12-25-14-22-20(15-5-3-2-4-6-15)21(25)16-7-9-19(26)10-8-16/h2-10,14,17-18,23-24,26H,11-13H2,1H3
InChIKeyTUXJTSOMOORRSH-UHFFFAOYSA-N
XLogP2.80
TPSA71.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-(methylamino)butyl]-5-phenylimidazol-4-yl]phenol
CID 50978507
4,5-diphenyl-1-propylimidazole
CID 14950648
4-[3-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-5-phenylimidazol-4-yl]phenol
CID 95120001
4-[5-phenyl-3-[2-(2H-triazol-4-ylsulfanyl)ethyl]imidazol-4-yl]phenol
CID 46984395
5-(3,4-dimethoxyphenyl)-1-[[(2S)-oxan-2-yl]methyl]-4-phenylimidazole
CID 95138059
4-[3-(3-hydroxypropyl)-5-(4-methoxyphenyl)imidazol-4-yl]phenol
CID 10592065
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
N-[4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]phenyl]acetamide
CID 95135000
methyl 4-[5-(4-cyanophenyl)-4-phenylimidazol-1-yl]butanoate
CID 50952859
3-[[5-(1-methylcyclopropyl)-4-phenylimidazol-1-yl]methyl]cyclobutan-1-ol
CID 167743109
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
(1S)-2-(4,5-diphenylimidazol-1-yl)-1-phenylethanol
CID 11850984

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol?
The IUPAC name of 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol (CID 75592539) is 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol.
What is the SMILES notation for 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol?
The canonical SMILES for 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol is COCC1CC(Cn2cnc(-c3ccccc3)c2-c2ccc(O)cc2)NN1.
What is the InChIKey of 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol?
The InChIKey is TUXJTSOMOORRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-13-18-11-17(23-24-18)12-25-14-22-20(15-5-3-2-4-6-15)21(25)16-7-9-19(26)10-8-16/h2-10,14,17-18,23-24,26H,11-13H2,1H3.
What are the key properties of 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol?
4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol has a molecular weight of 364.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[5-(methoxymethyl)pyrazolidin-3-yl]methyl]-5-phenylimidazol-4-yl]phenol is sourced from PubChem (CID 75592539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).