4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole

C14H15BrN2O2 — CID 84605513

IUPAC4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole
SMILESCc1cc2c(cc1-c1c(Br)nc(C)n1C)OCCO2
InChIInChI=1S/C14H15BrN2O2/c1-8-6-11-12(19-5-4-18-11)7-10(8)13-14(15)16-9(2)17(13)3/h6-7H,4-5H2,1-3H3
InChIKeyDNOGCDIXDAYHOY-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.24
Rot. Bonds1

About 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole

4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole (PubChem CID 84605513) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole.

Molecular Properties

Compound Name4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole
PubChem CID84605513
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole
SMILESCc1cc2c(cc1-c1c(Br)nc(C)n1C)OCCO2
InChIInChI=1S/C14H15BrN2O2/c1-8-6-11-12(19-5-4-18-11)7-10(8)13-14(15)16-9(2)17(13)3/h6-7H,4-5H2,1-3H3
InChIKeyDNOGCDIXDAYHOY-UHFFFAOYSA-N
XLogP3.24
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-1-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)imidazol-2-yl]ethanol
CID 84611923
5-bromo-1-methyl-4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazol-2-amine
CID 84605817
4-bromo-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,2-dimethylimidazole
CID 84611196
1-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxylic acid
CID 82488960
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-thiol
CID 116889667
4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-2,5-diamine
CID 82485977
ethane;7-methyl-2,3-dihydro-1,4-benzodioxin-6-amine
CID 145173589
[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892108
N-methyl-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazin-5-amine
CID 116823927
[4-bromo-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylimidazol-2-yl]methanamine
CID 84611469
N-methyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-3-amine
CID 116827257
[4-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]methanamine
CID 82482950

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole?
The IUPAC name of 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole (CID 84605513) is 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole.
What is the SMILES notation for 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole?
The canonical SMILES for 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole is Cc1cc2c(cc1-c1c(Br)nc(C)n1C)OCCO2.
What is the InChIKey of 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole?
The InChIKey is DNOGCDIXDAYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-8-6-11-12(19-5-4-18-11)7-10(8)13-14(15)16-9(2)17(13)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole?
4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole has a molecular weight of 323.19 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,2-dimethyl-5-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)imidazole is sourced from PubChem (CID 84605513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).