5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one

C14H16BrN3O3 — CID 79960816

IUPAC5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C14H16BrN3O3/c1-2-3-18-11(13(16)17-14(18)19)8-6-9(15)12-10(7-8)20-4-5-21-12/h6-7,11H,2-5H2,1H3,(H2,16,17,19)
InChIKeyWSMWBBPMSBTQGK-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.46
Rot. Bonds3

About 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one

5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one (PubChem CID 79960816) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one
PubChem CID79960816
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cc(Br)c2c(c1)OCCO2
InChIInChI=1S/C14H16BrN3O3/c1-2-3-18-11(13(16)17-14(18)19)8-6-9(15)12-10(7-8)20-4-5-21-12/h6-7,11H,2-5H2,1H3,(H2,16,17,19)
InChIKeyWSMWBBPMSBTQGK-UHFFFAOYSA-N
XLogP2.46
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one with MolForge

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Related Compounds

1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379267
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(2,2-difluoroethyl)ethane-1,2-diamine
CID 115406223
3-[(5-Bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-methyl-1-(3,3,3-trifluoropropyl)urea
CID 133603586
4-(3-Bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-imino-1-propylimidazol-2-amine
CID 143168777
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 43143869
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43143932
2-(5-Bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 43143952
2-(5-Bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43143953
2-(5-Bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 43143954
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N,N-dimethylethane-1,2-diamine
CID 43143955
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-butyl-N-methylethane-1,2-diamine
CID 43143956
2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-piperidin-1-ylethanamine
CID 43144020

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one (CID 79960816) is 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cc(Br)c2c(c1)OCCO2.
What is the InChIKey of 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one?
The InChIKey is WSMWBBPMSBTQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-2-3-18-11(13(16)17-14(18)19)8-6-9(15)12-10(7-8)20-4-5-21-12/h6-7,11H,2-5H2,1H3,(H2,16,17,19).
What are the key properties of 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one has a molecular weight of 354.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79960816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).