2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole

C11H10BrClN2 — CID 82561964

IUPAC2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
SMILESCn1ccnc1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClN2/c1-15-5-4-14-11(15)7-8-2-3-10(13)9(12)6-8/h2-6H,7H2,1H3
InChIKeyOQXWNVWETUQEPH-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.43
Rot. Bonds2

About 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole

2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole (PubChem CID 82561964) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
PubChem CID82561964
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
SMILESCn1ccnc1Cc1ccc(Cl)c(Br)c1
InChIInChI=1S/C11H10BrClN2/c1-15-5-4-14-11(15)7-8-2-3-10(13)9(12)6-8/h2-6H,7H2,1H3
InChIKeyOQXWNVWETUQEPH-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
2-[(3-bromo-4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)imidazole
CID 82561970
2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]acetic acid
CID 82560293
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]ethanamine
CID 82783395
1-[2-chloro-4-[(1-methylimidazol-2-yl)methyl]phenyl]-N-methylethanamine
CID 82783396
methyl 2-[2-[(3-bromo-4-chlorophenyl)methyl]imidazol-1-yl]propanoate
CID 82561110
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 115567453
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
[4-[(1-methylimidazol-2-yl)methyl]phenyl]methanesulfonyl chloride
CID 117458507

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole?
The IUPAC name of 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole (CID 82561964) is 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole.
What is the SMILES notation for 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole?
The canonical SMILES for 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole is Cn1ccnc1Cc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole?
The InChIKey is OQXWNVWETUQEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c1-15-5-4-14-11(15)7-8-2-3-10(13)9(12)6-8/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole?
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole has a molecular weight of 285.57 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole is sourced from PubChem (CID 82561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).