1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole

C15H19ClN2O2 — CID 18921807

IUPAC1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
SMILESCOc1ccc(OCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-19-13-5-6-15(14(16)11-13)20-10-4-2-3-8-18-9-7-17-12-18/h5-7,9,11-12H,2-4,8,10H2,1H3
InChIKeyPAAGQKJVZWNSRN-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.79
Rot. Bonds8

About 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole

1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole (PubChem CID 18921807) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
PubChem CID18921807
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
SMILESCOc1ccc(OCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C15H19ClN2O2/c1-19-13-5-6-15(14(16)11-13)20-10-4-2-3-8-18-9-7-17-12-18/h5-7,9,11-12H,2-4,8,10H2,1H3
InChIKeyPAAGQKJVZWNSRN-UHFFFAOYSA-N
XLogP3.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
1-(2-chloro-4-methoxyphenyl)-6-imidazol-1-ylhexan-1-ol
CID 18921898
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
CID 19378825
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanone
CID 82001062
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
1-[2-(3-imidazol-1-ylpropoxy)-4-methoxyphenyl]ethanol
CID 82001092
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-butyl-2-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378818

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole (CID 18921807) is 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole is COc1ccc(OCCCCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole?
The InChIKey is PAAGQKJVZWNSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-19-13-5-6-15(14(16)11-13)20-10-4-2-3-8-18-9-7-17-12-18/h5-7,9,11-12H,2-4,8,10H2,1H3.
What are the key properties of 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole?
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole has a molecular weight of 294.78 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole is sourced from PubChem (CID 18921807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).