1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride

C17H23ClN2O — CID 67808921

IUPAC1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride
SMILESCOc1ccc(C=CCCCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-20-17-10-8-16(9-11-17)7-5-3-2-4-6-13-19-14-12-18-15-19;/h5,7-12,14-15H,2-4,6,13H2,1H3;1H
InChIKeyYCGIUXGSAVNLNL-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.59
Rot. Bonds8

About 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride

1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride (PubChem CID 67808921) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride
PubChem CID67808921
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride
SMILESCOc1ccc(C=CCCCCCn2ccnc2)cc1.Cl
InChIInChI=1S/C17H22N2O.ClH/c1-20-17-10-8-16(9-11-17)7-5-3-2-4-6-13-19-14-12-18-15-19;/h5,7-12,14-15H,2-4,6,13H2,1H3;1H
InChIKeyYCGIUXGSAVNLNL-UHFFFAOYSA-N
XLogP4.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.59
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

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1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
methyl (E)-2-(imidazol-1-ylmethyl)-3-(4-methoxyphenyl)prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride?
The IUPAC name of 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride (CID 67808921) is 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride?
The canonical SMILES for 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride is COc1ccc(C=CCCCCCn2ccnc2)cc1.Cl.
What is the InChIKey of 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride?
The InChIKey is YCGIUXGSAVNLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O.ClH/c1-20-17-10-8-16(9-11-17)7-5-3-2-4-6-13-19-14-12-18-15-19;/h5,7-12,14-15H,2-4,6,13H2,1H3;1H.
What are the key properties of 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride?
1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride has a molecular weight of 306.84 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride is sourced from PubChem (CID 67808921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).