5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole

C21H23ClN2O — CID 142805619

IUPAC5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1ncc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C21H23ClN2O/c1-15(2)13-21-23-14-20(24-21)17-5-9-19(10-6-17)25-12-11-16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24)
InChIKeyFUGDRRHWDWVGGB-UHFFFAOYSA-N
MW354.88 g/mol
LogP5.55
Rot. Bonds7

About 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole

5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole (PubChem CID 142805619) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
PubChem CID142805619
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
SMILESCC(C)Cc1ncc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)[nH]1
InChIInChI=1S/C21H23ClN2O/c1-15(2)13-21-23-14-20(24-21)17-5-9-19(10-6-17)25-12-11-16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24)
InChIKeyFUGDRRHWDWVGGB-UHFFFAOYSA-N
XLogP5.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
4-[2-[4-[2-(phenoxymethyl)-1H-imidazol-5-yl]phenoxy]ethyl]benzoic acid
CID 69142534
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
1-chloro-4-[2-(4-methylsulfanylphenyl)ethoxy]benzene
CID 142678583
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]acetonitrile
CID 96610326
4-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-6-methylpyrimidine-2-carboxylic acid
CID 142721426
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole (CID 142805619) is 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole is CC(C)Cc1ncc(-c2ccc(OCCc3ccc(Cl)cc3)cc2)[nH]1.
What is the InChIKey of 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole?
The InChIKey is FUGDRRHWDWVGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-15(2)13-21-23-14-20(24-21)17-5-9-19(10-6-17)25-12-11-16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,24).
What are the key properties of 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole?
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole has a molecular weight of 354.88 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 142805619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).