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

C12H17Cl2N3O — CID 72716189

IUPAC1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
SMILESCOc1ccc(-c2cnc(C(C)N)[nH]2)cc1.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-8H,13H2,1-2H3,(H,14,15);2*1H
InChIKeySIJZCLGXMLSUHG-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.95
Rot. Bonds3

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

1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride (PubChem CID 72716189) 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]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
PubChem CID72716189
Molecular FormulaC12H17Cl2N3O
Molecular Weight290.19 g/mol
Exact Mass289.07
IUPAC Name1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
SMILESCOc1ccc(-c2cnc(C(C)N)[nH]2)cc1.Cl.Cl
InChIInChI=1S/C12H15N3O.2ClH/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-8H,13H2,1-2H3,(H,14,15);2*1H
InChIKeySIJZCLGXMLSUHG-UHFFFAOYSA-N
XLogP2.95
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
1-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethanamine
CID 43649844
(1S)-1-[5-(4-methylsulfanylphenyl)-1H-imidazol-2-yl]ethanamine
CID 102970539
1-[5-(6-methylnaphthalen-2-yl)-1H-imidazol-2-yl]ethanamine
CID 116876598
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878799
1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
(1S)-1-[5-[(4-methoxyphenyl)methyl]-1H-imidazol-2-yl]ethanamine
CID 96599635
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride?
The IUPAC name of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride (CID 72716189) is 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride is COc1ccc(-c2cnc(C(C)N)[nH]2)cc1.Cl.Cl.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride?
The InChIKey is SIJZCLGXMLSUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.2ClH/c1-8(13)12-14-7-11(15-12)9-3-5-10(16-2)6-4-9;;/h3-8H,13H2,1-2H3,(H,14,15);2*1H.
What are the key properties of 1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride?
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride has a molecular weight of 290.19 g/mol, XLogP of 2.95, 3 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]ethanamine;dihydrochloride is sourced from PubChem (CID 72716189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).