5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole

C5H6BrClN2 — CID 90873915

IUPAC5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole
SMILESCc1nc(Cl)c(CBr)[nH]1
InChIInChI=1S/C5H6BrClN2/c1-3-8-4(2-6)5(7)9-3/h2H2,1H3,(H,8,9)
InChIKeyNPSMHDZWQUVAFP-UHFFFAOYSA-N
MW209.47 g/mol
LogP2.27
Rot. Bonds1

About 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole

5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole (PubChem CID 90873915) has the molecular formula C5H6BrClN2 and a molecular weight of 209.47 g/mol. Its IUPAC name is 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole
PubChem CID90873915
Molecular FormulaC5H6BrClN2
Molecular Weight209.47 g/mol
Exact Mass207.94
IUPAC Name5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole
SMILESCc1nc(Cl)c(CBr)[nH]1
InChIInChI=1S/C5H6BrClN2/c1-3-8-4(2-6)5(7)9-3/h2H2,1H3,(H,8,9)
InChIKeyNPSMHDZWQUVAFP-UHFFFAOYSA-N
XLogP2.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chloro-2-methyl-1H-imidazol-5-yl)methyl]benzonitrile;hydrochloride
CID 70201349
4-chloro-2,5-dimethyl-1H-pyrimidin-6-one
CID 135538365
4,5-dichloro-2-methyl-1H-pyrimidin-6-one
CID 135621449
5-(chloromethyl)-2-methyl-4-propan-2-yl-1H-imidazole
CID 165441572
2-(4-bromo-2-methyl-1H-imidazol-5-yl)ethanamine
CID 83638263
[4-(aminomethyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 55289219
[4-(hydroxymethyl)-2-methyl-1H-imidazol-5-yl]methanol
CID 10920614
4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole
CID 59955696
3-(bromomethyl)-2,6-dichloro-5-methylpyridine
CID 11219023
2-(bromomethyl)-3,5-dimethyl-1H-pyrrole
CID 55266491
5-(bromomethyl)-N,4-dimethyl-1H-pyrrol-2-amine
CID 21051491
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373832

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole?
The IUPAC name of 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole (CID 90873915) is 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole?
The canonical SMILES for 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole is Cc1nc(Cl)c(CBr)[nH]1.
What is the InChIKey of 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole?
The InChIKey is NPSMHDZWQUVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClN2/c1-3-8-4(2-6)5(7)9-3/h2H2,1H3,(H,8,9).
What are the key properties of 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole?
5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole has a molecular weight of 209.47 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole is sourced from PubChem (CID 90873915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).