1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole

C12H12BrClN2 — CID 115769752

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
SMILESCCc1nccn1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3
InChIKeyHKAFDJAKAHNGSP-UHFFFAOYSA-N
MW299.60 g/mol
LogP3.91
Rot. Bonds3

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

1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole (PubChem CID 115769752) has the molecular formula C12H12BrClN2 and a molecular weight of 299.60 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
PubChem CID115769752
Molecular FormulaC12H12BrClN2
Molecular Weight299.60 g/mol
Exact Mass297.99
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
SMILESCCc1nccn1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3
InChIKeyHKAFDJAKAHNGSP-UHFFFAOYSA-N
XLogP3.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-ethylimidazole
CID 55150590
N-[[1-[(4-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62221262
1-[(5-bromo-2-fluorophenyl)methyl]-2-(chloromethyl)imidazole
CID 62222379
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
3-[4-chloro-5-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747175
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
CID 115614073
[4-[(2-ethylimidazol-1-yl)methyl]-3-fluorophenyl]methanamine
CID 61402521
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
1-(5-bromo-2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784716
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 82779028
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
2-[(4-bromophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]imidazole
CID 82561862

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole (CID 115769752) is 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole is CCc1nccn1Cc1ccc(Br)cc1Cl.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole?
The InChIKey is HKAFDJAKAHNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2/c1-2-12-15-5-6-16(12)8-9-3-4-10(13)7-11(9)14/h3-7H,2,8H2,1H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole?
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole has a molecular weight of 299.60 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole is sourced from PubChem (CID 115769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).