5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole

C17H14Cl2N2O — CID 139695523

IUPAC5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(COc3ccccc3)[nH]2)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-13-7-6-12(16(19)9-13)8-14-10-20-17(21-14)11-22-15-4-2-1-3-5-15/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeyIIFIOTKXLDVFEY-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.89
Rot. Bonds5

About 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole

5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole (PubChem CID 139695523) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
PubChem CID139695523
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
SMILESClc1ccc(Cc2cnc(COc3ccccc3)[nH]2)c(Cl)c1
InChIInChI=1S/C17H14Cl2N2O/c18-13-7-6-12(16(19)9-13)8-14-10-20-17(21-14)11-22-15-4-2-1-3-5-15/h1-7,9-10H,8,11H2,(H,20,21)
InChIKeyIIFIOTKXLDVFEY-UHFFFAOYSA-N
XLogP4.89
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695517
5-[(2,4-dichlorophenyl)methyl]-2-methylsulfanyl-1H-imidazole
CID 137368675
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-1H-imidazole
CID 141255849
CID 162171539
CID 162171539
2-(1H-benzimidazol-2-yl)-N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 66526990
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
N-[2-(2,4-dichlorophenyl)ethyl]-3-phenoxypropan-1-amine
CID 60689892
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137085110
4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
CID 139695542
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole (CID 139695523) is 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole is Clc1ccc(Cc2cnc(COc3ccccc3)[nH]2)c(Cl)c1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
The InChIKey is IIFIOTKXLDVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c18-13-7-6-12(16(19)9-13)8-14-10-20-17(21-14)11-22-15-4-2-1-3-5-15/h1-7,9-10H,8,11H2,(H,20,21).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole?
5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole has a molecular weight of 333.22 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole is sourced from PubChem (CID 139695523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).