5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine

C11H14BrN3 — CID 79509925

IUPAC5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(N)=NCC1(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3/c1-11(7-14-10(13)15(11)2)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyDJRGKJKKBHVOHX-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.92
Rot. Bonds1

About 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine

5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine (PubChem CID 79509925) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
PubChem CID79509925
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN1C(N)=NCC1(C)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrN3/c1-11(7-14-10(13)15(11)2)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyDJRGKJKKBHVOHX-UHFFFAOYSA-N
XLogP1.92
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The IUPAC name of 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine (CID 79509925) is 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine is CN1C(N)=NCC1(C)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
The InChIKey is DJRGKJKKBHVOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-11(7-14-10(13)15(11)2)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine?
5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine has a molecular weight of 268.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,5-dimethyl-4H-imidazol-2-amine is sourced from PubChem (CID 79509925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).