N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine

C13H16BrN3O — CID 114204311

IUPACN-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(OC)ccc2Br)cn1
InChIInChI=1S/C13H16BrN3O/c1-3-15-7-10-8-17(9-16-10)13-6-11(18-2)4-5-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyFQZMFNSUSXBCLK-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.75
Rot. Bonds5

About N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine

N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 114204311) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
PubChem CID114204311
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC NameN-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(-c2cc(OC)ccc2Br)cn1
InChIInChI=1S/C13H16BrN3O/c1-3-15-7-10-8-17(9-16-10)13-6-11(18-2)4-5-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3
InChIKeyFQZMFNSUSXBCLK-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(3-bromo-2-methylphenyl)imidazol-4-yl]methyl]ethanamine
CID 114204569
N-[[1-(4-bromo-2-chlorophenyl)imidazol-4-yl]methyl]ethanamine
CID 114203932
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720495
2-[1-(2,5-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 96662978
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
N-[[2-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 104708297
N-[[4-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 83134272
1-(2-bromo-5-methoxyphenyl)-3-(ethylamino)propan-2-one
CID 116562652
N-[(2-bromo-5-methoxyphenyl)methyl]-2-(1-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80682321
2-(2-bromo-5-methoxyphenoxy)-N-ethylacetamide
CID 172906966
(2-bromo-5-methoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550754

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine (CID 114204311) is N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cn(-c2cc(OC)ccc2Br)cn1.
What is the InChIKey of N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is FQZMFNSUSXBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-3-15-7-10-8-17(9-16-10)13-6-11(18-2)4-5-12(13)14/h4-6,8-9,15H,3,7H2,1-2H3.
What are the key properties of N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine?
N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 310.19 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-methoxyphenyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 114204311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).