5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

C12H16BrN3O — CID 79505530

IUPAC5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-17-6-5-16-11(8-15-12(16)14)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,14,15)
InChIKeyDSCHLTFNRQTKAH-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.77
Rot. Bonds4

About 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine

5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79505530) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79505530
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine
SMILESCOCCN1C(N)=NCC1c1cccc(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-17-6-5-16-11(8-15-12(16)14)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,14,15)
InChIKeyDSCHLTFNRQTKAH-UHFFFAOYSA-N
XLogP1.77
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine (CID 79505530) is 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is COCCN1C(N)=NCC1c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DSCHLTFNRQTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-17-6-5-16-11(8-15-12(16)14)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8H2,1H3,(H2,14,15).
What are the key properties of 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine?
5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 298.18 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1-(2-methoxyethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79505530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).