5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride

C15H21ClN2O3 — CID 3087970

IUPAC5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride
SMILESCOc1ccc(C(C)OC)c(OC)c1Cc1cnc[nH]1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(18-2)12-5-6-14(19-3)13(15(12)20-4)7-11-8-16-9-17-11;/h5-6,8-10H,7H2,1-4H3,(H,16,17);1H
InChIKeyRKJIANZDZFOGHG-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.15
Rot. Bonds6

About 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride

5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride (PubChem CID 3087970) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride
PubChem CID3087970
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride
SMILESCOc1ccc(C(C)OC)c(OC)c1Cc1cnc[nH]1.Cl
InChIInChI=1S/C15H20N2O3.ClH/c1-10(18-2)12-5-6-14(19-3)13(15(12)20-4)7-11-8-16-9-17-11;/h5-6,8-10H,7H2,1-4H3,(H,16,17);1H
InChIKeyRKJIANZDZFOGHG-UHFFFAOYSA-N
XLogP3.15
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride (CID 3087970) is 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride is COc1ccc(C(C)OC)c(OC)c1Cc1cnc[nH]1.Cl.
What is the InChIKey of 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
The InChIKey is RKJIANZDZFOGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3.ClH/c1-10(18-2)12-5-6-14(19-3)13(15(12)20-4)7-11-8-16-9-17-11;/h5-6,8-10H,7H2,1-4H3,(H,16,17);1H.
What are the key properties of 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride?
5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride has a molecular weight of 312.80 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,6-dimethoxy-3-(1-methoxyethyl)phenyl]methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 3087970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).