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

C11H11BrN2O — CID 660598

IUPAC1-[(3-bromo-4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(Cn2ccnc2)cc1Br
InChIInChI=1S/C11H11BrN2O/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3
InChIKeyHPWNFPFJJDAUIZ-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.70
Rot. Bonds3

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

1-[(3-bromo-4-methoxyphenyl)methyl]imidazole (PubChem CID 660598) has the molecular formula C11H11BrN2O and a molecular weight of 267.13 g/mol. Its IUPAC name is 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(3-bromo-4-methoxyphenyl)methyl]imidazole
PubChem CID660598
Molecular FormulaC11H11BrN2O
Molecular Weight267.13 g/mol
Exact Mass266.01
IUPAC Name1-[(3-bromo-4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(Cn2ccnc2)cc1Br
InChIInChI=1S/C11H11BrN2O/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3
InChIKeyHPWNFPFJJDAUIZ-UHFFFAOYSA-N
XLogP2.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[(3-Bromo-4-methoxyphenyl)methyl]imidazole;hydrochloride
CID 2951929
1H-Imidazole, 1-(3,4-dihydro-8-bromo-7-methoxy-2-naphthalenyl)-
CID 3021560
2-(3-Bromo-4-methoxyphenyl)imidazo[1,2-a]pyrimidine
CID 696188
1-[2-[2-(2-Bromo-4-methylphenoxy)ethoxy]ethyl]imidazole
CID 2923447
1-[(4-Methoxy-phenyl)-p-tolyl-methyl]-1H-imidazole
CID 44356601
1-[3-(2-bromo-4-methylphenoxy)propyl]-1H-imidazole
CID 2922618
1,3-Bis[(4-methoxyphenyl)methyl]imidazol-1-ium chloride
CID 49863773
1-[1,2-Bis(4-methoxyphenyl)ethyl]imidazole
CID 457224
Cambridge id 7012982
CID 803542
1-(4-(2-bromophenoxy)butyl)-1H-imidazole
CID 2843697

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole?
The IUPAC name of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole (CID 660598) is 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole is COc1ccc(Cn2ccnc2)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole?
The InChIKey is HPWNFPFJJDAUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O/c1-15-11-3-2-9(6-10(11)12)7-14-5-4-13-8-14/h2-6,8H,7H2,1H3.
What are the key properties of 1-[(3-bromo-4-methoxyphenyl)methyl]imidazole?
1-[(3-bromo-4-methoxyphenyl)methyl]imidazole has a molecular weight of 267.13 g/mol, XLogP of 2.70, 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 is sourced from PubChem (CID 660598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).