5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C12H15Br2N3 — CID 114077614

IUPAC5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H15Br2N3/c1-7(2)17-11(6-16-12(17)15)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,15,16)
InChIKeyPVNFTORIJWWHCH-UHFFFAOYSA-N
MW361.08 g/mol
LogP3.29
Rot. Bonds2

About 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 114077614) has the molecular formula C12H15Br2N3 and a molecular weight of 361.08 g/mol. Its IUPAC name is 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID114077614
Molecular FormulaC12H15Br2N3
Molecular Weight361.08 g/mol
Exact Mass358.96
IUPAC Name5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCC(C)N1C(N)=NCC1c1ccc(Br)c(Br)c1
InChIInChI=1S/C12H15Br2N3/c1-7(2)17-11(6-16-12(17)15)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,15,16)
InChIKeyPVNFTORIJWWHCH-UHFFFAOYSA-N
XLogP3.29
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.08
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 114077614) is 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CC(C)N1C(N)=NCC1c1ccc(Br)c(Br)c1.
What is the InChIKey of 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is PVNFTORIJWWHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3/c1-7(2)17-11(6-16-12(17)15)8-3-4-9(13)10(14)5-8/h3-5,7,11H,6H2,1-2H3,(H2,15,16).
What are the key properties of 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 361.08 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dibromophenyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 114077614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).