1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine

C13H18BrN3 — CID 79514249

IUPAC1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CC1CN=C(N)N1c1ccccc1Br
InChIInChI=1S/C13H18BrN3/c1-9(2)7-10-8-16-13(15)17(10)12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16)
InChIKeyGQDXTPIKFUOKQJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.00
Rot. Bonds3

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

1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514249) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514249
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine
SMILESCC(C)CC1CN=C(N)N1c1ccccc1Br
InChIInChI=1S/C13H18BrN3/c1-9(2)7-10-8-16-13(15)17(10)12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16)
InChIKeyGQDXTPIKFUOKQJ-UHFFFAOYSA-N
XLogP3.00
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine (CID 79514249) is 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is CC(C)CC1CN=C(N)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is GQDXTPIKFUOKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-9(2)7-10-8-16-13(15)17(10)12-6-4-3-5-11(12)14/h3-6,9-10H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine?
1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 296.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-(2-methylpropyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).