2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline

C16H14BrN3 — CID 82559693

IUPAC2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
SMILESNc1ccccc1Cn1ccnc1-c1ccccc1Br
InChIInChI=1S/C16H14BrN3/c17-14-7-3-2-6-13(14)16-19-9-10-20(16)11-12-5-1-4-8-15(12)18/h1-10H,11,18H2
InChIKeyZAJFMYQBAPYABT-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.94
Rot. Bonds3

About 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline

2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline (PubChem CID 82559693) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline.

Molecular Properties

Compound Name2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
PubChem CID82559693
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline
SMILESNc1ccccc1Cn1ccnc1-c1ccccc1Br
InChIInChI=1S/C16H14BrN3/c17-14-7-3-2-6-13(14)16-19-9-10-20(16)11-12-5-1-4-8-15(12)18/h1-10H,11,18H2
InChIKeyZAJFMYQBAPYABT-UHFFFAOYSA-N
XLogP3.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-pyridin-4-ylimidazol-1-yl)methyl]aniline
CID 82558959
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
2-[2-(2-bromophenyl)imidazol-1-yl]-N,N-dimethylethanamine
CID 82562220
2-[[2-(3-methoxyphenyl)imidazol-1-yl]methyl]aniline
CID 82559128
2-(2-bromophenyl)-1-[(3-nitrophenyl)methyl]imidazole
CID 82562245
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
3-bromo-2-[(2-methylimidazol-1-yl)methyl]aniline
CID 43168957
2-[[2-(thiophen-2-ylmethyl)imidazol-1-yl]methyl]aniline
CID 82557902
3-amino-1-[(2-bromophenyl)methyl]pyridin-2-one
CID 62102931
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
2-[[1-[(3-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]aniline
CID 82558825
2-[5-(2-bromophenyl)furan-2-yl]-1-ethylimidazole
CID 14798611

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline?
The IUPAC name of 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline (CID 82559693) is 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline.
What is the SMILES notation for 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline?
The canonical SMILES for 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline is Nc1ccccc1Cn1ccnc1-c1ccccc1Br.
What is the InChIKey of 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline?
The InChIKey is ZAJFMYQBAPYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-14-7-3-2-6-13(14)16-19-9-10-20(16)11-12-5-1-4-8-15(12)18/h1-10H,11,18H2.
What are the key properties of 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline?
2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline has a molecular weight of 328.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-bromophenyl)imidazol-1-yl]methyl]aniline is sourced from PubChem (CID 82559693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).