1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole

C22H25ClN2O2 — CID 22763007

IUPAC1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
SMILESCOc1ccccc1COC(C)(CCc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C22H25ClN2O2/c1-22(16-25-14-13-24-17-25,12-11-18-7-9-20(23)10-8-18)27-15-19-5-3-4-6-21(19)26-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyUUCISGUOJNREQT-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.15
Rot. Bonds9

About 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole

1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole (PubChem CID 22763007) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
PubChem CID22763007
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
SMILESCOc1ccccc1COC(C)(CCc1ccc(Cl)cc1)Cn1ccnc1
InChIInChI=1S/C22H25ClN2O2/c1-22(16-25-14-13-24-17-25,12-11-18-7-9-20(23)10-8-18)27-15-19-5-3-4-6-21(19)26-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyUUCISGUOJNREQT-UHFFFAOYSA-N
XLogP5.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole
CID 22762801
1-[(2S)-4-(4-chlorophenyl)-2-[(2S)-1-methoxy-3-naphthalen-2-ylsulfanylpropan-2-yl]oxy-2-methylbutyl]imidazole
CID 70644981
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-imidazol-1-yl-4-(4-methoxyphenyl)-2-methylbutan-2-ol
CID 22763056
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole (CID 22763007) is 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole is COc1ccccc1COC(C)(CCc1ccc(Cl)cc1)Cn1ccnc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole?
The InChIKey is UUCISGUOJNREQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-22(16-25-14-13-24-17-25,12-11-18-7-9-20(23)10-8-18)27-15-19-5-3-4-6-21(19)26-2/h3-10,13-14,17H,11-12,15-16H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole?
1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole has a molecular weight of 384.91 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole is sourced from PubChem (CID 22763007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).