2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole

C13H15BrN2 — CID 84714992

IUPAC2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(C2(C3=NCCN3)CCC2)cc1
InChIInChI=1S/C13H15BrN2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12-15-8-9-16-12/h2-5H,1,6-9H2,(H,15,16)
InChIKeyJUSDEZZQQMTVIK-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.87
Rot. Bonds2

About 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole

2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole (PubChem CID 84714992) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole
PubChem CID84714992
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole
SMILESBrc1ccc(C2(C3=NCCN3)CCC2)cc1
InChIInChI=1S/C13H15BrN2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12-15-8-9-16-12/h2-5H,1,6-9H2,(H,15,16)
InChIKeyJUSDEZZQQMTVIK-UHFFFAOYSA-N
XLogP2.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole (CID 84714992) is 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole is Brc1ccc(C2(C3=NCCN3)CCC2)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole?
The InChIKey is JUSDEZZQQMTVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c14-11-4-2-10(3-5-11)13(6-1-7-13)12-15-8-9-16-12/h2-5H,1,6-9H2,(H,15,16).
What are the key properties of 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole?
2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole has a molecular weight of 279.18 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)cyclobutyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 84714992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).