2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol

C17H24N2O2 — CID 130468763

IUPAC2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(OCC(C)Cc2cnc[nH]2)c(O)c1
InChIInChI=1S/C17H24N2O2/c1-12(2)6-14-4-5-17(16(20)8-14)21-10-13(3)7-15-9-18-11-19-15/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,18,19)
InChIKeySAQKHKUDELRAIA-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.57
Rot. Bonds7

About 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol

2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol (PubChem CID 130468763) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol
PubChem CID130468763
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol
SMILESCC(C)Cc1ccc(OCC(C)Cc2cnc[nH]2)c(O)c1
InChIInChI=1S/C17H24N2O2/c1-12(2)6-14-4-5-17(16(20)8-14)21-10-13(3)7-15-9-18-11-19-15/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,18,19)
InChIKeySAQKHKUDELRAIA-UHFFFAOYSA-N
XLogP3.57
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 65230680
(2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 101442129
(2S)-3-(1H-imidazol-5-yl)-2-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propanoylamino]propanoic acid
CID 102363674
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
2-[3-[3-(4-hydroxy-3-methoxyphenyl)propanoylamino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 11661372
5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)-1H-indene;2-methylpropylbenzene;4-(2-methylpropyl)benzene-1,2-diol;4-(2-methylpropyl)phenol
CID 158914275
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
2-[2-[[2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]propanoic acid
CID 18496623
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18232041
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol?
The IUPAC name of 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol (CID 130468763) is 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol.
What is the SMILES notation for 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol?
The canonical SMILES for 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol is CC(C)Cc1ccc(OCC(C)Cc2cnc[nH]2)c(O)c1.
What is the InChIKey of 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol?
The InChIKey is SAQKHKUDELRAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)6-14-4-5-17(16(20)8-14)21-10-13(3)7-15-9-18-11-19-15/h4-5,8-9,11-13,20H,6-7,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol?
2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol has a molecular weight of 288.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-yl)-2-methylpropoxy]-5-(2-methylpropyl)phenol is sourced from PubChem (CID 130468763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).