1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole

C14H16Cl2N2O — CID 75396526

IUPAC1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
SMILESCc1nccn1CCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-11-17-6-8-18(11)7-2-3-9-19-12-4-5-13(15)14(16)10-12/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyMAWZFIUFFSTIHG-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.36
Rot. Bonds6

About 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole

1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole (PubChem CID 75396526) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
PubChem CID75396526
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
SMILESCc1nccn1CCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c1-11-17-6-8-18(11)7-2-3-9-19-12-4-5-13(15)14(16)10-12/h4-6,8,10H,2-3,7,9H2,1H3
InChIKeyMAWZFIUFFSTIHG-UHFFFAOYSA-N
XLogP4.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
3-(3,4-dichlorophenoxy)-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide
CID 56583336
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
3-[3-(2-methylimidazol-1-yl)propoxy]benzonitrile
CID 43289188
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
4-(4-bromobutoxy)-1,2-dichlorobenzene
CID 18768634
1-[2-[3-(3-chloroprop-1-ynyl)phenoxy]ethyl]-2-methylimidazole
CID 61493662
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 154338771
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
CID 19378825
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole?
The IUPAC name of 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole (CID 75396526) is 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole.
What is the SMILES notation for 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole?
The canonical SMILES for 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole is Cc1nccn1CCCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole?
The InChIKey is MAWZFIUFFSTIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-11-17-6-8-18(11)7-2-3-9-19-12-4-5-13(15)14(16)10-12/h4-6,8,10H,2-3,7,9H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole?
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole has a molecular weight of 299.20 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole is sourced from PubChem (CID 75396526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).