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

C12H14BrN3O — CID 114721649

IUPAC2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1cc(Br)cc(-n2cncc2CCN)c1
InChIInChI=1S/C12H14BrN3O/c1-17-12-5-9(13)4-11(6-12)16-8-15-7-10(16)2-3-14/h4-8H,2-3,14H2,1H3
InChIKeyMFZVYLBBLQRZOB-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.14
Rot. Bonds4

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

2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 114721649) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
PubChem CID114721649
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine
SMILESCOc1cc(Br)cc(-n2cncc2CCN)c1
InChIInChI=1S/C12H14BrN3O/c1-17-12-5-9(13)4-11(6-12)16-8-15-7-10(16)2-3-14/h4-8H,2-3,14H2,1H3
InChIKeyMFZVYLBBLQRZOB-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-methyl-3-pyridinyl)imidazol-4-yl]ethanamine
CID 107587222
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethanamine
CID 114716863
3-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]pyridin-4-amine
CID 114721657
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]morpholine
CID 114721648
N-[[3-(3,5-dimethoxyphenyl)imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107446904
4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]ethanamine
CID 114719746
1-(3-bromo-5-methoxyphenyl)-4-methylimidazol-2-amine
CID 106579362
2-[3-(2-bromo-3-chlorophenyl)imidazol-4-yl]ethanamine
CID 103482103

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine (CID 114721649) is 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine is COc1cc(Br)cc(-n2cncc2CCN)c1.
What is the InChIKey of 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is MFZVYLBBLQRZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-12-5-9(13)4-11(6-12)16-8-15-7-10(16)2-3-14/h4-8H,2-3,14H2,1H3.
What are the key properties of 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine?
2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 296.17 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-bromo-5-methoxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114721649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).