2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole

C19H15Cl2N3O2 — CID 156700972

IUPAC2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole
SMILESClc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c20-13-5-6-14(15(21)9-13)18(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-17(16)26-19/h1-9,12,18H,10-11H2
InChIKeyZGBLFPALCPDVLF-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.29
Rot. Bonds6

About 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole

2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole (PubChem CID 156700972) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole
PubChem CID156700972
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole
SMILESClc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3o2)c(Cl)c1
InChIInChI=1S/C19H15Cl2N3O2/c20-13-5-6-14(15(21)9-13)18(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-17(16)26-19/h1-9,12,18H,10-11H2
InChIKeyZGBLFPALCPDVLF-UHFFFAOYSA-N
XLogP5.29
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-4-yl]-ethyl}-2-hydroxy-propyl)-1H-imidazole-4-carboxylic acid amide
CID 10173385
1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-7-yl]-ethyl}-2-hydroxy-propyl)-1H-imidazole-4-carboxylic acid amide
CID 10238071
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-[(3-methylimidazol-4-yl)methyl]-1,4-dihydropyrimidine-5-carboxamide
CID 155801528
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-[(1-methylimidazol-4-yl)methyl]-1,4-dihydropyrimidine-5-carboxamide
CID 156898966
1-[(4S)-1-[2-(4-chlorophenyl)-1,3-benzoxazol-7-yl]-4-hydroxypentan-3-yl]imidazole-4-carboxamide
CID 5288253
2-[(E)-2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860296
2-[(E)-2-[4-(5-imidazol-1-ylpentoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860302
2-[(E)-2-[4-(4-imidazol-1-ylbutoxy)phenyl]ethenyl]-1,3-benzoxazole;hydrate;hydrochloride
CID 49860333
1-((1R,2S)-1-(2-(2-(4-Chlorophenyl)-1,3-benzoxazol-7-YL)ethyl)-2-hydroxypropyl)-1H-imidazole-4-carboxamide
CID 46937091
N-benzyl-N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]formamide
CID 46943492
N-[8-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-2-ethylimidazo[1,2-a]pyridin-3-yl]-N-methylpentanamide
CID 49791348
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,4-dihydropyrimidine-5-carboxamide
CID 156899046

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole?
The IUPAC name of 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole (CID 156700972) is 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole?
The canonical SMILES for 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole is Clc1ccc(C(Cn2ccnc2)OCc2nc3ccccc3o2)c(Cl)c1.
What is the InChIKey of 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole?
The InChIKey is ZGBLFPALCPDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-13-5-6-14(15(21)9-13)18(10-24-8-7-22-12-24)25-11-19-23-16-3-1-2-4-17(16)26-19/h1-9,12,18H,10-11H2.
What are the key properties of 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole?
2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole has a molecular weight of 388.25 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methyl]-1,3-benzoxazole is sourced from PubChem (CID 156700972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).