1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine

C14H18BrN3O — CID 79514472

IUPAC1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOCC2)N1c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c15-11-3-1-2-4-12(11)18-13(9-17-14(18)16)10-5-7-19-8-6-10/h1-4,10,13H,5-9H2,(H2,16,17)
InChIKeyYSCFNWRQRNIQAU-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.38
Rot. Bonds2

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

1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514472) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79514472
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOCC2)N1c1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c15-11-3-1-2-4-12(11)18-13(9-17-14(18)16)10-5-7-19-8-6-10/h1-4,10,13H,5-9H2,(H2,16,17)
InChIKeyYSCFNWRQRNIQAU-UHFFFAOYSA-N
XLogP2.38
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine (CID 79514472) is 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCOCC2)N1c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is YSCFNWRQRNIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c15-11-3-1-2-4-12(11)18-13(9-17-14(18)16)10-5-7-19-8-6-10/h1-4,10,13H,5-9H2,(H2,16,17).
What are the key properties of 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine?
1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-(oxan-4-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).