2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride

C11H14Cl2N2O2 — CID 139785125

IUPAC2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
SMILESCOc1ccc(-c2ncc[nH]2)cc1OC.Cl.Cl
InChIInChI=1S/C11H12N2O2.2ClH/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H
InChIKeyIINKCXXDSRVVBS-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.94
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride

2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride (PubChem CID 139785125) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
PubChem CID139785125
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride
SMILESCOc1ccc(-c2ncc[nH]2)cc1OC.Cl.Cl
InChIInChI=1S/C11H12N2O2.2ClH/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H
InChIKeyIINKCXXDSRVVBS-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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Related Compounds

2-(3,4-dimethylphenyl)-1H-imidazole
CID 12622727
2-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 43654596
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
2-[5-(1H-imidazol-2-yl)-2,6-dimethoxynaphthalen-1-yl]-1H-imidazole
CID 169050106
2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
CID 110539967
2-(5-fluoro-2-methoxyphenyl)-1H-imidazole
CID 55254368
4-chloro-2-(3,4-dimethoxyphenyl)pyridine
CID 102825072
4-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-2-pyridinyl]pyridine
CID 86054377
4-(1H-imidazol-2-yl)benzene-1,2-diamine
CID 19101595
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
CID 110726514

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride (CID 139785125) is 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride is COc1ccc(-c2ncc[nH]2)cc1OC.Cl.Cl.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
The InChIKey is IINKCXXDSRVVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.2ClH/c1-14-9-4-3-8(7-10(9)15-2)11-12-5-6-13-11;;/h3-7H,1-2H3,(H,12,13);2*1H.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride?
2-(3,4-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-(3,4-dimethoxyphenyl)-1H-imidazole;dihydrochloride is sourced from PubChem (CID 139785125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).