4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole

C14H17BrN2O — CID 117191932

IUPAC4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
SMILESCc1nc(COc2cccc(Br)c2)cn1C(C)C
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-8-13(16-11(17)3)9-18-14-6-4-5-12(15)7-14/h4-8,10H,9H2,1-3H3
InChIKeyYRGZCEYBYBAORU-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.11
Rot. Bonds4

About 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole

4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole (PubChem CID 117191932) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
PubChem CID117191932
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
SMILESCc1nc(COc2cccc(Br)c2)cn1C(C)C
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-8-13(16-11(17)3)9-18-14-6-4-5-12(15)7-14/h4-8,10H,9H2,1-3H3
InChIKeyYRGZCEYBYBAORU-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-chlorophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191931
4-[(4-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191982
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
2-bromo-4-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117191965
2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
CID 117187302
6-[(3-bromophenoxy)methyl]pyridin-2-amine
CID 79239271
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
1-bromo-3-ethoxybenzene;ethane
CID 143900364
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
2-[(3-bromophenoxy)methyl]-1,3-oxazol-4-amine
CID 117186722
4-[(3-bromophenoxy)methyl]-1,3-thiazol-2-amine
CID 28913045

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole (CID 117191932) is 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole is Cc1nc(COc2cccc(Br)c2)cn1C(C)C.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole?
The InChIKey is YRGZCEYBYBAORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10(2)17-8-13(16-11(17)3)9-18-14-6-4-5-12(15)7-14/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole?
4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole has a molecular weight of 309.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117191932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).