1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride

C11H12BrClN2O — CID 2951929

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride
SMILESCOc1ccc(Cn2ccnc2)cc1Br.Cl
InChIInChI=1S/C11H11BrN2O.ClH/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14;/h2-6,8H,7H2,1H3;1H
InChIKeyZAJBCCGJWLFTKH-UHFFFAOYSA-N
MW303.59 g/mol
LogP3.12
Rot. Bonds3

About 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride

1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride (PubChem CID 2951929) has the molecular formula C11H12BrClN2O and a molecular weight of 303.59 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride
PubChem CID2951929
Molecular FormulaC11H12BrClN2O
Molecular Weight303.59 g/mol
Exact Mass301.98
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride
SMILESCOc1ccc(Cn2ccnc2)cc1Br.Cl
InChIInChI=1S/C11H11BrN2O.ClH/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14;/h2-6,8H,7H2,1H3;1H
InChIKeyZAJBCCGJWLFTKH-UHFFFAOYSA-N
XLogP3.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride (CID 2951929) is 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride is COc1ccc(Cn2ccnc2)cc1Br.Cl.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride?
The InChIKey is ZAJBCCGJWLFTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O.ClH/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14;/h2-6,8H,7H2,1H3;1H.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride?
1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride has a molecular weight of 303.59 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride is sourced from PubChem (CID 2951929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).