1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride

C19H21ClN2O — CID 2993981

IUPAC1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1ccc(OCCn2ccnc2)c(Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-16-7-8-19(22-12-11-21-10-9-20-15-21)18(13-16)14-17-5-3-2-4-6-17;/h2-10,13,15H,11-12,14H2,1H3;1H
InChIKeyWPSBJYSEKSYUBM-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.28
Rot. Bonds6

About 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride

1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride (PubChem CID 2993981) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
PubChem CID2993981
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1ccc(OCCn2ccnc2)c(Cc2ccccc2)c1.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-16-7-8-19(22-12-11-21-10-9-20-15-21)18(13-16)14-17-5-3-2-4-6-17;/h2-10,13,15H,11-12,14H2,1H3;1H
InChIKeyWPSBJYSEKSYUBM-UHFFFAOYSA-N
XLogP4.28
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-benzyl-4-methylphenoxy)ethanol
CID 156845812
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
1-[2-[2-(2-benzyl-4-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine;hydrochloride
CID 2996315
2-(2-imidazol-1-ylethoxy)benzaldehyde;hydrochloride
CID 75531590
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 60887693
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
(2R)-1-[2-(2-benzyl-4-methylphenoxy)ethylamino]propan-2-ol
CID 7374885
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride (CID 2993981) is 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride is Cc1ccc(OCCn2ccnc2)c(Cc2ccccc2)c1.Cl.
What is the InChIKey of 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride?
The InChIKey is WPSBJYSEKSYUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-16-7-8-19(22-12-11-21-10-9-20-15-21)18(13-16)14-17-5-3-2-4-6-17;/h2-10,13,15H,11-12,14H2,1H3;1H.
What are the key properties of 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride?
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 2993981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).