6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole

C14H15BrN4O — CID 84610300

IUPAC6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole
SMILESCc1ccc(OCc2nn3c(Br)c(C)nc3n2C)cc1
InChIInChI=1S/C14H15BrN4O/c1-9-4-6-11(7-5-9)20-8-12-17-19-13(15)10(2)16-14(19)18(12)3/h4-7H,8H2,1-3H3
InChIKeyZVQAAVQQNXWRCT-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.03
Rot. Bonds3

About 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole

6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole (PubChem CID 84610300) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole
PubChem CID84610300
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole
SMILESCc1ccc(OCc2nn3c(Br)c(C)nc3n2C)cc1
InChIInChI=1S/C14H15BrN4O/c1-9-4-6-11(7-5-9)20-8-12-17-19-13(15)10(2)16-14(19)18(12)3/h4-7H,8H2,1-3H3
InChIKeyZVQAAVQQNXWRCT-UHFFFAOYSA-N
XLogP3.03
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674
[2-methyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]methanamine
CID 82475269
5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117188687
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
CID 84744964
3-[(4-methoxyphenoxy)methyl]-6-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71304885
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
2-bromo-4-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117191965
1,6-dimethyl-2-[(4-methylphenoxy)methyl]indole
CID 117185960
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188413
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
CID 144679006
2-[6-methyl-2-[(4-methylphenoxy)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150790
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole?
The IUPAC name of 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole (CID 84610300) is 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole?
The canonical SMILES for 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole is Cc1ccc(OCc2nn3c(Br)c(C)nc3n2C)cc1.
What is the InChIKey of 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole?
The InChIKey is ZVQAAVQQNXWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9-4-6-11(7-5-9)20-8-12-17-19-13(15)10(2)16-14(19)18(12)3/h4-7H,8H2,1-3H3.
What are the key properties of 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole?
6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole has a molecular weight of 335.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 84610300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).