1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole

C18H16Cl2N2O — CID 3012220

IUPAC1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
SMILESClc1ccc(OC(CCn2ccnc2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-15-6-7-18(16(20)12-15)23-17(14-4-2-1-3-5-14)8-10-22-11-9-21-13-22/h1-7,9,11-13,17H,8,10H2
InChIKeyTZSSTDCLMNYHMK-UHFFFAOYSA-N
MW347.25 g/mol
LogP5.40
Rot. Bonds6

About 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole

1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole (PubChem CID 3012220) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
PubChem CID3012220
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
SMILESClc1ccc(OC(CCn2ccnc2)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H16Cl2N2O/c19-15-6-7-18(16(20)12-15)23-17(14-4-2-1-3-5-14)8-10-22-11-9-21-13-22/h1-7,9,11-13,17H,8,10H2
InChIKeyTZSSTDCLMNYHMK-UHFFFAOYSA-N
XLogP5.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.25
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 3012224
1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
CID 59331953
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383026
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-imidazol-1-ylpropan-1-ol
CID 20572789
1-[3-[(4-chlorophenyl)sulfanylmethoxy]-3-(2,4-dichlorophenyl)propyl]imidazole;nitric acid
CID 70603911
1-[3-(2,4-dichlorophenyl)-3-pentylsulfanylpropyl]imidazole
CID 21415372
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole (CID 3012220) is 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole is Clc1ccc(OC(CCn2ccnc2)c2ccccc2)c(Cl)c1.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole?
The InChIKey is TZSSTDCLMNYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c19-15-6-7-18(16(20)12-15)23-17(14-4-2-1-3-5-14)8-10-22-11-9-21-13-22/h1-7,9,11-13,17H,8,10H2.
What are the key properties of 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole?
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole has a molecular weight of 347.25 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole is sourced from PubChem (CID 3012220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).