1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole

C14H17ClN2O — CID 2852681

IUPAC1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole
SMILESCc1cc(OCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C14H17ClN2O/c1-11-8-13(9-12(2)14(11)15)18-7-3-5-17-6-4-16-10-17/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyUOLVTUVNQRAZPK-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.62
Rot. Bonds5

About 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole

1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole (PubChem CID 2852681) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole
PubChem CID2852681
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole
SMILESCc1cc(OCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C14H17ClN2O/c1-11-8-13(9-12(2)14(11)15)18-7-3-5-17-6-4-16-10-17/h4,6,8-10H,3,5,7H2,1-2H3
InChIKeyUOLVTUVNQRAZPK-UHFFFAOYSA-N
XLogP3.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.62
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole (CID 2852681) is 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole is Cc1cc(OCCCn2ccnc2)cc(C)c1Cl.
What is the InChIKey of 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole?
The InChIKey is UOLVTUVNQRAZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-11-8-13(9-12(2)14(11)15)18-7-3-5-17-6-4-16-10-17/h4,6,8-10H,3,5,7H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole?
1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]imidazole is sourced from PubChem (CID 2852681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).