1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine

C5H8BrN3O — CID 126983139

IUPAC1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
SMILESCONCc1ncc(Br)[nH]1
InChIInChI=1S/C5H8BrN3O/c1-10-8-3-5-7-2-4(6)9-5/h2,8H,3H2,1H3,(H,7,9)
InChIKeyDQGHEHYIYCOMKK-UHFFFAOYSA-N
MW206.04 g/mol
LogP0.82
Rot. Bonds3

About 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine

1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine (PubChem CID 126983139) has the molecular formula C5H8BrN3O and a molecular weight of 206.04 g/mol. Its IUPAC name is 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine.

Molecular Properties

Compound Name1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
PubChem CID126983139
Molecular FormulaC5H8BrN3O
Molecular Weight206.04 g/mol
Exact Mass204.99
IUPAC Name1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine
SMILESCONCc1ncc(Br)[nH]1
InChIInChI=1S/C5H8BrN3O/c1-10-8-3-5-7-2-4(6)9-5/h2,8H,3H2,1H3,(H,7,9)
InChIKeyDQGHEHYIYCOMKK-UHFFFAOYSA-N
XLogP0.82
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2,2-dimethylpropyl)-1H-imidazole
CID 117259218
1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
5-bromo-2-(ethylsulfanylmethyl)-1H-imidazole
CID 117187407
1-(4,5-dimethyl-1H-imidazol-2-yl)-N-methoxymethanamine
CID 82595689
4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
CID 117187368
N-[(5-bromo-1H-imidazol-2-yl)methyl]-5-methyl-1-(4-methylphenyl)pyrazol-3-amine
CID 139016321
methyl N-[(2S)-1-[(5-bromo-1H-imidazol-2-yl)methyl-(2-methylpropyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 129108140
1-[(5-bromo-1H-imidazol-2-yl)methyl]azepane
CID 117187157
5-bromo-2-[(2-fluorophenoxy)methyl]-1H-imidazole
CID 117187238
1-(2,5-dimethyl-1H-pyrrol-3-yl)-N-methoxymethanamine
CID 130835408
N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
CID 123282366
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine?
The IUPAC name of 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine (CID 126983139) is 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine.
What is the SMILES notation for 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine?
The canonical SMILES for 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine is CONCc1ncc(Br)[nH]1.
What is the InChIKey of 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine?
The InChIKey is DQGHEHYIYCOMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3O/c1-10-8-3-5-7-2-4(6)9-5/h2,8H,3H2,1H3,(H,7,9).
What are the key properties of 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine?
1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine has a molecular weight of 206.04 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1H-imidazol-2-yl)-N-methoxymethanamine is sourced from PubChem (CID 126983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).