2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

C12H13BrClN3O — CID 84608942

IUPAC2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(Br)[nH]c2CCN)cc1Cl
InChIInChI=1S/C12H13BrClN3O/c1-18-10-3-2-7(6-8(10)14)11-9(4-5-15)16-12(13)17-11/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyVZULLWUYPRYDDQ-UHFFFAOYSA-N
MW330.61 g/mol
LogP3.00
Rot. Bonds4

About 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine

2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (PubChem CID 84608942) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
PubChem CID84608942
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
SMILESCOc1ccc(-c2nc(Br)[nH]c2CCN)cc1Cl
InChIInChI=1S/C12H13BrClN3O/c1-18-10-3-2-7(6-8(10)14)11-9(4-5-15)16-12(13)17-11/h2-3,6H,4-5,15H2,1H3,(H,16,17)
InChIKeyVZULLWUYPRYDDQ-UHFFFAOYSA-N
XLogP3.00
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84608935
[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
2-[3-(3-chloro-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 82481625
2-[2-bromo-4-(2,5-difluoro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 84609274
2-[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82133922
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
2-[5-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 84609239
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
2-[6-(3-chloro-4-methoxyphenyl)pyridazin-3-yl]ethanamine
CID 82303495
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
5-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-4-amine
CID 82482114
[4-(3-chloro-4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methanol
CID 116867349

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine (CID 84608942) is 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is COc1ccc(-c2nc(Br)[nH]c2CCN)cc1Cl.
What is the InChIKey of 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
The InChIKey is VZULLWUYPRYDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c1-18-10-3-2-7(6-8(10)14)11-9(4-5-15)16-12(13)17-11/h2-3,6H,4-5,15H2,1H3,(H,16,17).
What are the key properties of 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine?
2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine has a molecular weight of 330.61 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(3-chloro-4-methoxyphenyl)-1H-imidazol-5-yl]ethanamine is sourced from PubChem (CID 84608942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).