2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole

C17H23ClN2O2 — CID 18921827

IUPAC2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole
SMILESCOc1ccc(OCCCCCCCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-21-14-8-9-16(15(18)13-14)22-12-6-4-2-3-5-7-17-19-10-11-20-17/h8-11,13H,2-7,12H2,1H3,(H,19,20)
InChIKeyUPMIPVFQZMBDEY-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.64
Rot. Bonds10

About 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole

2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole (PubChem CID 18921827) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole.

Molecular Properties

Compound Name2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole
PubChem CID18921827
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole
SMILESCOc1ccc(OCCCCCCCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-21-14-8-9-16(15(18)13-14)22-12-6-4-2-3-5-7-17-19-10-11-20-17/h8-11,13H,2-7,12H2,1H3,(H,19,20)
InChIKeyUPMIPVFQZMBDEY-UHFFFAOYSA-N
XLogP4.64
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(2-chloro-4-methoxyphenoxy)hexyl]-3,5-dimethyl-1H-pyrazole
CID 6482601
2-[6-(5-chloro-2-methoxy-4-methylphenyl)hexyl]-1H-imidazole
CID 67616805
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807
1-butyl-2-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378818
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550
1-[6-(2-chloro-4-methoxyphenoxy)hexyl]pyrrolidine
CID 18921937
2-acetyl-9-(2-chloro-4-methoxyphenoxy)nonanoic acid
CID 70611457
[1-[6-(2-chloro-4-methoxyphenoxy)hexyl]imidazol-2-yl]methanol
CID 19378825
2-dodecyl-1H-imidazole
CID 22019838
2-octyl-1H-imidazole
CID 18347297
2,4-dichloro-1-[3-(4-methoxyphenoxy)propoxy]benzene
CID 2252113

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole?
The IUPAC name of 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole (CID 18921827) is 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole.
What is the SMILES notation for 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole?
The canonical SMILES for 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole is COc1ccc(OCCCCCCCc2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole?
The InChIKey is UPMIPVFQZMBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-21-14-8-9-16(15(18)13-14)22-12-6-4-2-3-5-7-17-19-10-11-20-17/h8-11,13H,2-7,12H2,1H3,(H,19,20).
What are the key properties of 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole?
2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole has a molecular weight of 322.84 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-chloro-4-methoxyphenoxy)heptyl]-1H-imidazole is sourced from PubChem (CID 18921827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).