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

C13H15ClN2O — CID 70528757

IUPAC1-[1-(4-chlorophenoxy)butyl]imidazole
SMILESCCCC(Oc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C13H15ClN2O/c1-2-3-13(16-9-8-15-10-16)17-12-6-4-11(14)5-7-12/h4-10,13H,2-3H2,1H3
InChIKeyGTDHGQSSQFKSLW-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.91
Rot. Bonds5

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

1-[1-(4-chlorophenoxy)butyl]imidazole (PubChem CID 70528757) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[1-(4-chlorophenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[1-(4-chlorophenoxy)butyl]imidazole
PubChem CID70528757
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[1-(4-chlorophenoxy)butyl]imidazole
SMILESCCCC(Oc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C13H15ClN2O/c1-2-3-13(16-9-8-15-10-16)17-12-6-4-11(14)5-7-12/h4-10,13H,2-3H2,1H3
InChIKeyGTDHGQSSQFKSLW-UHFFFAOYSA-N
XLogP3.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxybutyl)imidazole
CID 118061867
1-[4-chloro-1-(4-chlorophenoxy)-2-ethoxy-3,3-dimethylbutyl]imidazole
CID 23335433
4-(4-chlorophenoxy)-2,2-diethyl-4-imidazol-1-yl-3-oxobutanoic acid
CID 20538649
1-(4-chlorophenoxy)-1-imidazol-1-yl-4,4-dimethylpentan-2-one
CID 122173815
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
ethyl 4-(4-chlorophenoxy)-2-ethyl-4-imidazol-1-yl-2-methyl-3-oxobutanoate
CID 54262414
1-(4-chlorophenoxy)butan-1-ol
CID 23332143
5-(4-chlorophenoxy)-1-(4-fluorophenoxy)-1-imidazol-1-yl-3,3-dimethylpentan-2-ol
CID 13322910
[4-[4-(4-chlorophenyl)phenoxy]-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] tetradecanoate
CID 21319188
1-imidazol-1-ylbutane-1-thiol
CID 135238655
1-hexan-3-ylimidazole
CID 54145075
[4-(4-chlorophenoxy)-4-imidazol-1-yl-2,2-dimethyl-3-oxobutyl] 2-methylprop-2-enoate
CID 23350041

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenoxy)butyl]imidazole?
The IUPAC name of 1-[1-(4-chlorophenoxy)butyl]imidazole (CID 70528757) is 1-[1-(4-chlorophenoxy)butyl]imidazole.
What is the SMILES notation for 1-[1-(4-chlorophenoxy)butyl]imidazole?
The canonical SMILES for 1-[1-(4-chlorophenoxy)butyl]imidazole is CCCC(Oc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of 1-[1-(4-chlorophenoxy)butyl]imidazole?
The InChIKey is GTDHGQSSQFKSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-3-13(16-9-8-15-10-16)17-12-6-4-11(14)5-7-12/h4-10,13H,2-3H2,1H3.
What are the key properties of 1-[1-(4-chlorophenoxy)butyl]imidazole?
1-[1-(4-chlorophenoxy)butyl]imidazole has a molecular weight of 250.73 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenoxy)butyl]imidazole is sourced from PubChem (CID 70528757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).