2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole

C11H12Br2N2O — CID 110535982

IUPAC2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1c(Br)cc(C2=NCCN2)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-2-16-10-8(12)5-7(6-9(10)13)11-14-3-4-15-11/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySYQUSKIBVBJGNF-UHFFFAOYSA-N
MW348.04 g/mol
LogP2.96
Rot. Bonds3

About 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole

2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 110535982) has the molecular formula C11H12Br2N2O and a molecular weight of 348.04 g/mol. Its IUPAC name is 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID110535982
Molecular FormulaC11H12Br2N2O
Molecular Weight348.04 g/mol
Exact Mass345.93
IUPAC Name2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCOc1c(Br)cc(C2=NCCN2)cc1Br
InChIInChI=1S/C11H12Br2N2O/c1-2-16-10-8(12)5-7(6-9(10)13)11-14-3-4-15-11/h5-6H,2-4H2,1H3,(H,14,15)
InChIKeySYQUSKIBVBJGNF-UHFFFAOYSA-N
XLogP2.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.04
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole (CID 110535982) is 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole is CCOc1c(Br)cc(C2=NCCN2)cc1Br.
What is the InChIKey of 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is SYQUSKIBVBJGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N2O/c1-2-16-10-8(12)5-7(6-9(10)13)11-14-3-4-15-11/h5-6H,2-4H2,1H3,(H,14,15).
What are the key properties of 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 348.04 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-4-ethoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 110535982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).