1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine

C15H18BrN3O — CID 106580568

IUPAC1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrN3O/c1-10(2)18-15-17-4-5-19(15)9-12-8-13(16)7-11-3-6-20-14(11)12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyOOMFVHVPWBGUHK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.45
Rot. Bonds4

About 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106580568) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106580568
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1cc(Br)cc2c1OCC2
InChIInChI=1S/C15H18BrN3O/c1-10(2)18-15-17-4-5-19(15)9-12-8-13(16)7-11-3-6-20-14(11)12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyOOMFVHVPWBGUHK-UHFFFAOYSA-N
XLogP3.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136693333
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106580567
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methyl-N-propylimidazol-2-amine
CID 106580569
3-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5,6-dichloropyrimidin-4-one
CID 114583050
1-[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]triazol-4-yl]ethanamine
CID 114420187
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104702359
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 104703526
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
N-[[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104703022
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylpyrimidin-2-amine
CID 104703145
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-fluoroindole
CID 116619794

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106580568) is 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1Cc1cc(Br)cc2c1OCC2.
What is the InChIKey of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is OOMFVHVPWBGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-10(2)18-15-17-4-5-19(15)9-12-8-13(16)7-11-3-6-20-14(11)12/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106580568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).