1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole

C16H21ClN2O — CID 2853222

IUPAC1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole
SMILESCc1cc(Cl)cc(C)c1OCCCCCn1ccnc1
InChIInChI=1S/C16H21ClN2O/c1-13-10-15(17)11-14(2)16(13)20-9-5-3-4-7-19-8-6-18-12-19/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyJFUUICKSJOTRHS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.40
Rot. Bonds7

About 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole

1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole (PubChem CID 2853222) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole
PubChem CID2853222
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole
SMILESCc1cc(Cl)cc(C)c1OCCCCCn1ccnc1
InChIInChI=1S/C16H21ClN2O/c1-13-10-15(17)11-14(2)16(13)20-9-5-3-4-7-19-8-6-18-12-19/h6,8,10-12H,3-5,7,9H2,1-2H3
InChIKeyJFUUICKSJOTRHS-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'}

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Related Compounds

Croconazole
CID 2880
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-[3-(4-Chloro-3,5-Dimethylphenoxy)benzyl]-1h-Imidazole
CID 71601807
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[2-(2-allyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 2923479
4-(4-chloro-2-methylphenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 3148047
1-[3-(mesityloxy)propyl]-1H-imidazole
CID 3847057
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-1H-imidazole
CID 2853604
1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]-1H-imidazole
CID 4110518
1-[6-(4-Chloro-3,5-dimethylphenoxy)hexyl]imidazole
CID 2853905
5-[2-[2-Chloro-4-(imidazol-1-ylmethyl)phenyl]ethynyl]-2-propan-2-yloxybenzonitrile
CID 69669192

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole (CID 2853222) is 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole is Cc1cc(Cl)cc(C)c1OCCCCCn1ccnc1.
What is the InChIKey of 1-[5-(4-chloro-2,6-dimethylphenoxy)pentyl]imidazole?
The InChIKey is JFUUICKSJOTRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-13-10-15(17)11-14(2)16(13)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-2,6-dimethylphenoxy)pentyl]imidazole?
1-[5-(4-chloro-2,6-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-2,6-dimethylphenoxy)pentyl]imidazole is sourced from PubChem (CID 2853222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).