2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride

C11H14Cl2N2O2 — CID 139785129

IUPAC2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
SMILESCOc1cc(OC)cc(-c2ncc[nH]2)c1.Cl.Cl
InChIInChI=1S/C11H12N2O2.2ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H
InChIKeyWISFFHXMSYHBBP-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride

2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride (PubChem CID 139785129) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
PubChem CID139785129
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
SMILESCOc1cc(OC)cc(-c2ncc[nH]2)c1.Cl.Cl
InChIInChI=1S/C11H12N2O2.2ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H
InChIKeyWISFFHXMSYHBBP-UHFFFAOYSA-N
XLogP2.94
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride (CID 139785129) is 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride is COc1cc(OC)cc(-c2ncc[nH]2)c1.Cl.Cl.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The InChIKey is WISFFHXMSYHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.2ClH/c1-14-9-5-8(6-10(7-9)15-2)11-12-3-4-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride has a molecular weight of 277.15 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride is sourced from PubChem (CID 139785129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).