5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline

C11H12BrN3O — CID 62761956

IUPAC5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1cnc[nH]1
InChIInChI=1S/C11H12BrN3O/c1-16-11-3-2-8(12)4-10(11)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyGFSAGQMLCIJOHM-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.79
Rot. Bonds4

About 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline

5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline (PubChem CID 62761956) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
PubChem CID62761956
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline
SMILESCOc1ccc(Br)cc1NCc1cnc[nH]1
InChIInChI=1S/C11H12BrN3O/c1-16-11-3-2-8(12)4-10(11)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15)
InChIKeyGFSAGQMLCIJOHM-UHFFFAOYSA-N
XLogP2.79
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline 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

5-chloro-N-(1H-imidazol-5-ylmethyl)-2,4-dimethoxyaniline
CID 62761367
2-chloro-N-(1H-imidazol-5-ylmethyl)-4,5-dimethoxyaniline
CID 62762289
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
4-fluoro-N-(1H-imidazol-5-ylmethyl)-3-methoxyaniline
CID 59728218
5-bromo-N-(1H-indol-5-ylmethyl)-2-methoxyaniline
CID 102910483
N'-(5-bromo-2-methoxyphenyl)-N-methylmethanediamine
CID 115226503
5-bromo-2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 54968048
6-[(5-bromo-2-methoxyanilino)methyl]pyridin-3-ol
CID 79783055
5-bromo-2-methoxy-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63456234
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-methoxyaniline
CID 65316388
5-bromo-N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 63456231
2-bromo-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62761211

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline?
The IUPAC name of 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline (CID 62761956) is 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline.
What is the SMILES notation for 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline?
The canonical SMILES for 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline is COc1ccc(Br)cc1NCc1cnc[nH]1.
What is the InChIKey of 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline?
The InChIKey is GFSAGQMLCIJOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-11-3-2-8(12)4-10(11)14-6-9-5-13-7-15-9/h2-5,7,14H,6H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline?
5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline has a molecular weight of 282.14 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1H-imidazol-5-ylmethyl)-2-methoxyaniline is sourced from PubChem (CID 62761956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).