1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride

C12H17Cl2N3O — CID 72716184

IUPAC1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(-c2ccc(OC)cc2)[nH]1.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-13-8-12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-7,13H,8H2,1-2H3,(H,14,15);2*1H
InChIKeyMGFFAVQLVZGAAH-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.65
Rot. Bonds4

About 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride

1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride (PubChem CID 72716184) has the molecular formula C12H17Cl2N3O and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
PubChem CID72716184
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
SMILESCNCc1ncc(-c2ccc(OC)cc2)[nH]1.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-13-8-12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-7,13H,8H2,1-2H3,(H,14,15);2*1H
InChIKeyMGFFAVQLVZGAAH-UHFFFAOYSA-N
XLogP2.65
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
methyl 2-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]acetate
CID 116880251
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111182238
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
CID 91939363
1-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785062
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride (CID 72716184) is 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride is CNCc1ncc(-c2ccc(OC)cc2)[nH]1.Cl.Cl.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride?
The InChIKey is MGFFAVQLVZGAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.2ClH/c1-13-8-12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-7,13H,8H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride?
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride has a molecular weight of 290.19 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride is sourced from PubChem (CID 72716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).