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

C13H16BrN3O — CID 79515084

IUPAC1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyAXTCNBLVKVDRRO-UHFFFAOYSA-N
MW310.19 g/mol
LogP1.99
Rot. Bonds2

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

1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79515084) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79515084
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C2CCOC2)N1c1cccc(Br)c1
InChIInChI=1S/C13H16BrN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16)
InChIKeyAXTCNBLVKVDRRO-UHFFFAOYSA-N
XLogP1.99
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine (CID 79515084) is 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(C2CCOC2)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is AXTCNBLVKVDRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c14-10-2-1-3-11(6-10)17-12(7-16-13(17)15)9-4-5-18-8-9/h1-3,6,9,12H,4-5,7-8H2,(H2,15,16).
What are the key properties of 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 310.19 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(oxolan-3-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79515084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).