5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine

C14H16BrN3O2 — CID 62017169

IUPAC5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cc(Br)c3c(c2)OCCO3)c1N
InChIInChI=1S/C14H16BrN3O2/c1-8(2)18-7-17-12(14(18)16)9-5-10(15)13-11(6-9)19-3-4-20-13/h5-8H,3-4,16H2,1-2H3
InChIKeyIDPPUCCYZGJOMA-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.25
Rot. Bonds2

About 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine

5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62017169) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine
PubChem CID62017169
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2cc(Br)c3c(c2)OCCO3)c1N
InChIInChI=1S/C14H16BrN3O2/c1-8(2)18-7-17-12(14(18)16)9-5-10(15)13-11(6-9)19-3-4-20-13/h5-8H,3-4,16H2,1-2H3
InChIKeyIDPPUCCYZGJOMA-UHFFFAOYSA-N
XLogP3.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62018505
5-(7-chloro-1,3-benzodioxol-5-yl)-3-propan-2-ylimidazol-4-amine
CID 62019769
5-(7-bromo-1,3-benzodioxol-5-yl)-3-tert-butylimidazol-4-amine
CID 62018116
5-(7-bromo-1,3-benzodioxol-5-yl)-2-methyl-3-propan-2-ylimidazol-4-amine
CID 62224666
5-[4-(dimethylamino)phenyl]-3-propan-2-ylimidazol-4-amine
CID 62017166
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 63560815
5-(3-cyclopropylphenyl)-3-propan-2-ylimidazol-4-amine
CID 79980676
5-[3-(difluoromethyl)phenyl]-3-propan-2-ylimidazol-4-amine
CID 115528257
4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507933
4-(7-bromo-1,3-benzodioxol-5-yl)-2-cyclopropylimidazole-1,5-diamine
CID 62483820
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62018105
2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloropyrimidine
CID 43654713

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine (CID 62017169) is 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine is CC(C)n1cnc(-c2cc(Br)c3c(c2)OCCO3)c1N.
What is the InChIKey of 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is IDPPUCCYZGJOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8(2)18-7-17-12(14(18)16)9-5-10(15)13-11(6-9)19-3-4-20-13/h5-8H,3-4,16H2,1-2H3.
What are the key properties of 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine?
5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 338.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62017169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).