1-[(3-bromophenyl)methyl]-2-ethylimidazole

C12H13BrN2 — CID 55150590

IUPAC1-[(3-bromophenyl)methyl]-2-ethylimidazole
SMILESCCc1nccn1Cc1cccc(Br)c1
InChIInChI=1S/C12H13BrN2/c1-2-12-14-6-7-15(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3
InChIKeyUTFJFXFNWNVLCD-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.26
Rot. Bonds3

About 1-[(3-bromophenyl)methyl]-2-ethylimidazole

1-[(3-bromophenyl)methyl]-2-ethylimidazole (PubChem CID 55150590) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-2-ethylimidazole
PubChem CID55150590
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name1-[(3-bromophenyl)methyl]-2-ethylimidazole
SMILESCCc1nccn1Cc1cccc(Br)c1
InChIInChI=1S/C12H13BrN2/c1-2-12-14-6-7-15(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3
InChIKeyUTFJFXFNWNVLCD-UHFFFAOYSA-N
XLogP3.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
[4-[(2-ethylimidazol-1-yl)methyl]-2-pyridinyl]methanamine
CID 63889050
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
1-[(3-bromophenyl)methyl]-2-ethylpyrrole
CID 141433599
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465995
4-[(2-ethylimidazol-1-yl)methyl]-N-methylpyridin-2-amine
CID 62465996

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethylimidazole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-2-ethylimidazole (CID 55150590) is 1-[(3-bromophenyl)methyl]-2-ethylimidazole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-2-ethylimidazole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-2-ethylimidazole is CCc1nccn1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-2-ethylimidazole?
The InChIKey is UTFJFXFNWNVLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-2-12-14-6-7-15(12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-2-ethylimidazole?
1-[(3-bromophenyl)methyl]-2-ethylimidazole has a molecular weight of 265.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-2-ethylimidazole is sourced from PubChem (CID 55150590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).