1-[2-(2,4-dichlorophenoxy)ethyl]imidazole

C11H10Cl2N2O — CID 759758

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]imidazole
SMILESClc1ccc(OCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyFLMQUWVILHJCFJ-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.27
Rot. Bonds4

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

1-[2-(2,4-dichlorophenoxy)ethyl]imidazole (PubChem CID 759758) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]imidazole
PubChem CID759758
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]imidazole
SMILESClc1ccc(OCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyFLMQUWVILHJCFJ-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Prochloraz
CID 73665
Interferon Alfa-2B
CID 71306834
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[3-(2-chlorophenoxy)propyl]-1H-imidazole
CID 2843672
Cambridge id 6865961
CID 2804749
1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
CID 24768399
1-[6-(2-Chloro-4-methyxyphenoxy)-hexyl]-imidazole
CID 1360
1-[2-(2-Chloro-phenoxy)-ethyl]-2-methyl-1H-imidazole
CID 1111665
1-[2-(4-chlorophenoxy)ethyl]-2-methyl-1H-imidazole oxalate
CID 2935814
1-(2,4-Dichloro-phenoxy)-3-(2-methyl-imidazol-1-yl)-propan-2-ol
CID 3152396
4-(2,4-dichlorophenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 2842888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole (CID 759758) is 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole is Clc1ccc(OCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole?
The InChIKey is FLMQUWVILHJCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole?
1-[2-(2,4-dichlorophenoxy)ethyl]imidazole has a molecular weight of 257.12 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)ethyl]imidazole is sourced from PubChem (CID 759758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).