1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol

C22H26N2O2 — CID 13274589

IUPAC1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(COc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)21(25)19-8-4-18(5-9-19)15-26-20-10-6-17(7-11-20)14-24-13-12-23-16-24/h4-13,16,21,25H,14-15H2,1-3H3
InChIKeyNPKZKOGGEJFWFE-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.59
Rot. Bonds6

About 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol

1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol (PubChem CID 13274589) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol
PubChem CID13274589
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1ccc(COc2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C22H26N2O2/c1-22(2,3)21(25)19-8-4-18(5-9-19)15-26-20-10-6-17(7-11-20)14-24-13-12-23-16-24/h4-13,16,21,25H,14-15H2,1-3H3
InChIKeyNPKZKOGGEJFWFE-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol with MolForge

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Related Compounds

2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
3-imidazol-1-yl-1-(4-phenylmethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 67651862
2-(4-ethoxyphenyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 37426208
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94020442
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 109493238
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
4-(imidazol-1-ylmethyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]benzamide
CID 94025005

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol (CID 13274589) is 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1ccc(COc2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol?
The InChIKey is NPKZKOGGEJFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-22(2,3)21(25)19-8-4-18(5-9-19)15-26-20-10-6-17(7-11-20)14-24-13-12-23-16-24/h4-13,16,21,25H,14-15H2,1-3H3.
What are the key properties of 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol?
1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol has a molecular weight of 350.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(imidazol-1-ylmethyl)phenoxy]methyl]phenyl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 13274589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).