1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole

C22H23Cl3N2O — CID 22762801

IUPAC1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole
SMILESCC(CCCc1ccc(Cl)cc1)(Cn1ccnc1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl3N2O/c1-22(15-27-12-11-26-16-27,10-2-3-17-4-7-19(23)8-5-17)28-14-18-6-9-20(24)13-21(18)25/h4-9,11-13,16H,2-3,10,14-15H2,1H3
InChIKeyNAKXHICABUWCGI-UHFFFAOYSA-N
MW437.80 g/mol
LogP6.84
Rot. Bonds9

About 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole

1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole (PubChem CID 22762801) has the molecular formula C22H23Cl3N2O and a molecular weight of 437.80 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole
PubChem CID22762801
Molecular FormulaC22H23Cl3N2O
Molecular Weight437.80 g/mol
Exact Mass436.09
IUPAC Name1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole
SMILESCC(CCCc1ccc(Cl)cc1)(Cn1ccnc1)OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H23Cl3N2O/c1-22(15-27-12-11-26-16-27,10-2-3-17-4-7-19(23)8-5-17)28-14-18-6-9-20(24)13-21(18)25/h4-9,11-13,16H,2-3,10,14-15H2,1H3
InChIKeyNAKXHICABUWCGI-UHFFFAOYSA-N
XLogP6.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)-2-[(2-methoxyphenyl)methoxy]-2-methylbutyl]imidazole
CID 22763007
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
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-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole (CID 22762801) is 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole is CC(CCCc1ccc(Cl)cc1)(Cn1ccnc1)OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole?
The InChIKey is NAKXHICABUWCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N2O/c1-22(15-27-12-11-26-16-27,10-2-3-17-4-7-19(23)8-5-17)28-14-18-6-9-20(24)13-21(18)25/h4-9,11-13,16H,2-3,10,14-15H2,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole?
1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole has a molecular weight of 437.80 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]-2-methylpentyl]imidazole is sourced from PubChem (CID 22762801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).