2-[2-(4-bromophenyl)ethyl]-1-methylimidazole

C12H13BrN2 — CID 82486543

IUPAC2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-15-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyBKOQCUYBCWZCSW-UHFFFAOYSA-N
MW265.15 g/mol
LogP2.97
Rot. Bonds3

About 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole

2-[2-(4-bromophenyl)ethyl]-1-methylimidazole (PubChem CID 82486543) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
PubChem CID82486543
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-[2-(4-bromophenyl)ethyl]-1-methylimidazole
SMILESCn1ccnc1CCc1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2/c1-15-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyBKOQCUYBCWZCSW-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-methyl-4-(1-methylimidazol-2-yl)butan-2-amine
CID 114529956
2-[2-[3-(4-bromophenyl)azetidin-3-yl]ethyl]-1-methylimidazole
CID 114532872
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542
1-(1-methylimidazol-2-yl)-5-(4-methylphenyl)pentan-3-one
CID 105133851
5-bromo-2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine
CID 71392356
azane;1-methyl-2-propylimidazole
CID 174525892
3-(4-bromophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 61211079
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456
1-(5-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811684

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole?
The IUPAC name of 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole (CID 82486543) is 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole.
What is the SMILES notation for 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole?
The canonical SMILES for 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole is Cn1ccnc1CCc1ccc(Br)cc1.
What is the InChIKey of 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole?
The InChIKey is BKOQCUYBCWZCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-15-9-8-14-12(15)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole?
2-[2-(4-bromophenyl)ethyl]-1-methylimidazole has a molecular weight of 265.15 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)ethyl]-1-methylimidazole is sourced from PubChem (CID 82486543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).