4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

C23H29N3O4 — CID 135621440

IUPAC4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCCCO)[nH]2)cc(OC)c1O
InChIInChI=1S/C23H29N3O4/c1-26(2)17-10-8-15(9-11-17)21-18(7-5-6-12-27)24-23(25-21)16-13-19(29-3)22(28)20(14-16)30-4/h8-11,13-14,27-28H,5-7,12H2,1-4H3,(H,24,25)
InChIKeyCLLFNVRFFHFOQZ-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.85
Rot. Bonds9

About 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol

4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (PubChem CID 135621440) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
PubChem CID135621440
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCCCO)[nH]2)cc(OC)c1O
InChIInChI=1S/C23H29N3O4/c1-26(2)17-10-8-15(9-11-17)21-18(7-5-6-12-27)24-23(25-21)16-13-19(29-3)22(28)20(14-16)30-4/h8-11,13-14,27-28H,5-7,12H2,1-4H3,(H,24,25)
InChIKeyCLLFNVRFFHFOQZ-UHFFFAOYSA-N
XLogP3.85
TPSA90.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[2-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 135727357
4-[2,4-bis[4-(dimethylamino)phenyl]-1,3-oxazol-5-yl]-2,6-dimethoxyphenol
CID 22159164
[4-[4-[4-(dimethylamino)phenyl]-5-methyl-1H-imidazol-2-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 19095145
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
4-[4,5-bis[4-(diethylamino)phenyl]-1H-imidazol-2-yl]-N,N-diethyl-2,6-dimethoxyaniline
CID 19810971
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
[2-(4-fluorophenyl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 59384881
4-[5-[4-[2-[4-(dimethylamino)phenyl]-4-phenyl-1H-imidazol-5-yl]phenyl]-4-phenyl-1H-imidazol-2-yl]-N,N-dimethylaniline
CID 3106619
4-(4-methoxyphenyl)-2-methyl-5-tetradecyl-1H-imidazole
CID 59109639
S-(methylamino) 4,5-bis[4-[bis(2-hydroxyethyl)amino]phenyl]-2-(4-hydroxy-3,5-dimethoxyphenyl)imidazole-1-carbothioate
CID 135559151
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-2,6-dimethoxyphenol
CID 136776464
2,6-dicyclohexyl-4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]phenol;[5-[4-(dimethylamino)phenyl]-4-ethyl-2-[4-hydroxy-3,5-bis(1-methylcyclohexyl)phenyl]imidazol-1-yl]-phenylmethanone;[3-[5-[5-[4-(dimethylamino)phenyl]-4-ethyl-1-methylimidazol-2-yl]-3-(3-formylphenyl)-2-hydroxyphenyl]phenyl]phosphonic acid;4-[4-[4-(dimethylamino)phenyl]-5-(2-phenylethyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol
CID 137168890

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol (CID 135621440) is 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is COc1cc(-c2nc(-c3ccc(N(C)C)cc3)c(CCCCO)[nH]2)cc(OC)c1O.
What is the InChIKey of 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
The InChIKey is CLLFNVRFFHFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-26(2)17-10-8-15(9-11-17)21-18(7-5-6-12-27)24-23(25-21)16-13-19(29-3)22(28)20(14-16)30-4/h8-11,13-14,27-28H,5-7,12H2,1-4H3,(H,24,25).
What are the key properties of 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol?
4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol has a molecular weight of 411.50 g/mol, XLogP of 3.85, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(dimethylamino)phenyl]-5-(4-hydroxybutyl)-1H-imidazol-2-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135621440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).