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

C16H21ClN2O — CID 4110518

IUPAC1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole
SMILESCc1cc(OCCCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C16H21ClN2O/c1-13-10-15(11-14(2)16(13)17)20-9-5-3-4-7-19-8-6-18-12-19/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyJRMYQNXXMWDFDW-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.40
Rot. Bonds7

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

1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole (PubChem CID 4110518) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole
PubChem CID4110518
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole
SMILESCc1cc(OCCCCCn2ccnc2)cc(C)c1Cl
InChIInChI=1S/C16H21ClN2O/c1-13-10-15(11-14(2)16(13)17)20-9-5-3-4-7-19-8-6-18-12-19/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyJRMYQNXXMWDFDW-UHFFFAOYSA-N
XLogP4.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole (CID 4110518) is 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole is Cc1cc(OCCCCCn2ccnc2)cc(C)c1Cl.
What is the InChIKey of 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole?
The InChIKey is JRMYQNXXMWDFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-13-10-15(11-14(2)16(13)17)20-9-5-3-4-7-19-8-6-18-12-19/h6,8,10-12H,3-5,7,9H2,1-2H3.
What are the key properties of 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole?
1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole has a molecular weight of 292.81 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]imidazole is sourced from PubChem (CID 4110518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).