1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole

C17H13BrCl2N2O — CID 21481677

IUPAC1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
SMILESClc1ccc(COc2cc(Br)ccc2Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2O/c18-14-3-1-12(9-22-6-5-21-11-22)17(7-14)23-10-13-2-4-15(19)8-16(13)20/h1-8,11H,9-10H2
InChIKeyMEWXITCTVVFLOK-UHFFFAOYSA-N
MW412.11 g/mol
LogP5.58
Rot. Bonds5

About 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole

1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole (PubChem CID 21481677) has the molecular formula C17H13BrCl2N2O and a molecular weight of 412.11 g/mol. Its IUPAC name is 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
PubChem CID21481677
Molecular FormulaC17H13BrCl2N2O
Molecular Weight412.11 g/mol
Exact Mass409.96
IUPAC Name1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
SMILESClc1ccc(COc2cc(Br)ccc2Cn2ccnc2)c(Cl)c1
InChIInChI=1S/C17H13BrCl2N2O/c18-14-3-1-12(9-22-6-5-21-11-22)17(7-14)23-10-13-2-4-15(19)8-16(13)20/h1-8,11H,9-10H2
InChIKeyMEWXITCTVVFLOK-UHFFFAOYSA-N
XLogP5.58
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.11
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
CID 14062132
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66529631
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
bis[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-3-imidazol-1-ylprop-1-enyl] oxalate
CID 57052475
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
5-bromo-2-[(2,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779761

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole?
The IUPAC name of 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole (CID 21481677) is 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole.
What is the SMILES notation for 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole?
The canonical SMILES for 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole is Clc1ccc(COc2cc(Br)ccc2Cn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole?
The InChIKey is MEWXITCTVVFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O/c18-14-3-1-12(9-22-6-5-21-11-22)17(7-14)23-10-13-2-4-15(19)8-16(13)20/h1-8,11H,9-10H2.
What are the key properties of 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole?
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole has a molecular weight of 412.11 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole is sourced from PubChem (CID 21481677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).