1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

C12H14BrN3O — CID 112748930

IUPAC1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-17-10-3-2-9(11(13)6-10)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyQBARWEHSJINSQB-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine

1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 112748930) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID112748930
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2ncc[nH]2)c(Br)c1
InChIInChI=1S/C12H14BrN3O/c1-17-10-3-2-9(11(13)6-10)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16)
InChIKeyQBARWEHSJINSQB-UHFFFAOYSA-N
XLogP2.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63820703
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001959
1-(5-chloro-2-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001121
N-(1H-imidazol-2-ylmethyl)-2,4-dimethoxyaniline
CID 54976157
N-(1H-imidazol-2-ylmethyl)-2-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 119126131
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-(1H-imidazol-2-ylmethyl)-5-methoxypyrimidin-2-amine
CID 114600639
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
2-(2-bromo-5-methoxyphenyl)-1H-imidazole
CID 91367579
N-(1H-imidazol-2-ylmethyl)-2-(2-methoxyphenyl)ethanamine
CID 82682280
2-[(5-methoxy-2-phenylphenyl)methyl]-1H-imidazole
CID 91469919

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine (CID 112748930) is 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is COc1ccc(CNCc2ncc[nH]2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is QBARWEHSJINSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-17-10-3-2-9(11(13)6-10)7-14-8-12-15-4-5-16-12/h2-6,14H,7-8H2,1H3,(H,15,16).
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine?
1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 296.17 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 112748930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).