5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride

C23H18Cl4N2O2 — CID 161435087

IUPAC5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1-c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1.Cl
InChIInChI=1S/C23H17Cl3N2O2.ClH/c1-29-22-11-19(30-13-14-2-4-16(24)5-3-14)6-7-20(22)21-12-27-23(28-21)15-8-17(25)10-18(26)9-15;/h2-12H,13H2,1H3,(H,27,28);1H
InChIKeyNMFAMUDTSKVACS-UHFFFAOYSA-N
MW496.22 g/mol
LogP7.71
Rot. Bonds6

About 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride

5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride (PubChem CID 161435087) has the molecular formula C23H18Cl4N2O2 and a molecular weight of 496.22 g/mol. Its IUPAC name is 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride
PubChem CID161435087
Molecular FormulaC23H18Cl4N2O2
Molecular Weight496.22 g/mol
Exact Mass494.01
IUPAC Name5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride
SMILESCOc1cc(OCc2ccc(Cl)cc2)ccc1-c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1.Cl
InChIInChI=1S/C23H17Cl3N2O2.ClH/c1-29-22-11-19(30-13-14-2-4-16(24)5-3-14)6-7-20(22)21-12-27-23(28-21)15-8-17(25)10-18(26)9-15;/h2-12H,13H2,1H3,(H,27,28);1H
InChIKeyNMFAMUDTSKVACS-UHFFFAOYSA-N
XLogP7.71
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.22
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-5-(2-methoxy-4-phenylmethoxyphenyl)-1H-imidazole
CID 58510130
2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole
CID 58510218
5-(2-methoxy-4-phenylmethoxyphenyl)-2-phenyl-1H-imidazole;hydrochloride
CID 158418618
5-[2-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 88881339
5-(2-methoxy-4-phenylmethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1H-imidazole
CID 58510131
4-[[3-methoxy-4-[2-(3-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]benzonitrile
CID 70667531
5-[4-[(4-chloro-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(3-methylphenyl)-1H-imidazole
CID 58510067
2-chloro-5-[5-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 148816852
2-fluoro-5-[5-[2-methoxy-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]phenyl]-1H-imidazol-2-yl]pyridine
CID 129304135
5-[4-[(4-bromo-2-fluorophenyl)methoxy]-2-methoxyphenyl]-2-(4-methoxyphenyl)-1H-imidazole
CID 58510120
2-[[3-methoxy-4-[2-(4-methylphenyl)-1H-imidazol-5-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
CID 70667493
4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride?
The IUPAC name of 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride (CID 161435087) is 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride is COc1cc(OCc2ccc(Cl)cc2)ccc1-c1cnc(-c2cc(Cl)cc(Cl)c2)[nH]1.Cl.
What is the InChIKey of 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride?
The InChIKey is NMFAMUDTSKVACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N2O2.ClH/c1-29-22-11-19(30-13-14-2-4-16(24)5-3-14)6-7-20(22)21-12-27-23(28-21)15-8-17(25)10-18(26)9-15;/h2-12H,13H2,1H3,(H,27,28);1H.
What are the key properties of 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride?
5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride has a molecular weight of 496.22 g/mol, XLogP of 7.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-chlorophenyl)methoxy]-2-methoxyphenyl]-2-(3,5-dichlorophenyl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 161435087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).