1-[4-(4-chlorophenoxy)butyl]imidazole

C13H15ClN2O — CID 2843495

IUPAC1-[4-(4-chlorophenoxy)butyl]imidazole
SMILESClc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H15ClN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2
InChIKeyJZDLJQPNZPZOTF-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.40
Rot. Bonds6

About 1-[4-(4-chlorophenoxy)butyl]imidazole

1-[4-(4-chlorophenoxy)butyl]imidazole (PubChem CID 2843495) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)butyl]imidazole
PubChem CID2843495
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[4-(4-chlorophenoxy)butyl]imidazole
SMILESClc1ccc(OCCCCn2ccnc2)cc1
InChIInChI=1S/C13H15ClN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2
InChIKeyJZDLJQPNZPZOTF-UHFFFAOYSA-N
XLogP3.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.40
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

bis(N-[2-(4-chlorophenoxy)ethyl]-5-imidazol-1-ylpentan-1-amine);hydrate;tetrahydrochloride
CID 173280314
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
N-[2-(4-chlorophenoxy)ethyl]-3-imidazol-1-yl-N-methylpropan-1-amine
CID 18349582
1-[5-(4-fluorophenoxy)pentyl]imidazole
CID 2851826
1-[2-(4-chlorophenoxy)ethylamino]-5-imidazol-1-ylpentan-1-ol;dihydrochloride
CID 70213779
1-[6-[4-(2-phenylethynyl)phenoxy]hexyl]imidazole
CID 101469157
1-[10-(4-nitrophenoxy)decyl]imidazole
CID 13219131
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155316

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenoxy)butyl]imidazole (CID 2843495) is 1-[4-(4-chlorophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenoxy)butyl]imidazole is Clc1ccc(OCCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)butyl]imidazole?
The InChIKey is JZDLJQPNZPZOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-12-3-5-13(6-4-12)17-10-2-1-8-16-9-7-15-11-16/h3-7,9,11H,1-2,8,10H2.
What are the key properties of 1-[4-(4-chlorophenoxy)butyl]imidazole?
1-[4-(4-chlorophenoxy)butyl]imidazole has a molecular weight of 250.73 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)butyl]imidazole is sourced from PubChem (CID 2843495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).