5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine

C15H22BrN3O2 — CID 79501536

IUPAC5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H22BrN3O2/c1-5-9(2)19-12(8-18-15(19)17)10-6-13(20-3)14(21-4)7-11(10)16/h6-7,9,12H,5,8H2,1-4H3,(H2,17,18)
InChIKeyXGSZFPGDXVJRCL-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.94
Rot. Bonds5

About 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine

5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79501536) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79501536
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1c1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H22BrN3O2/c1-5-9(2)19-12(8-18-15(19)17)10-6-13(20-3)14(21-4)7-11(10)16/h6-7,9,12H,5,8H2,1-4H3,(H2,17,18)
InChIKeyXGSZFPGDXVJRCL-UHFFFAOYSA-N
XLogP2.94
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine (CID 79501536) is 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1c1cc(OC)c(OC)cc1Br.
What is the InChIKey of 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is XGSZFPGDXVJRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-5-9(2)19-12(8-18-15(19)17)10-6-13(20-3)14(21-4)7-11(10)16/h6-7,9,12H,5,8H2,1-4H3,(H2,17,18).
What are the key properties of 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine?
5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 356.26 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4,5-dimethoxyphenyl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79501536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).