5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole

C14H17BrN2O — CID 117188687

IUPAC5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCc1ccc(OCc2ncc(Br)n2C(C)C)cc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-13(15)8-16-14(17)9-18-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3
InChIKeyQGSGDFCIPHIFNO-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.11
Rot. Bonds4

About 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole

5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole (PubChem CID 117188687) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
PubChem CID117188687
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCc1ccc(OCc2ncc(Br)n2C(C)C)cc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-13(15)8-16-14(17)9-18-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3
InChIKeyQGSGDFCIPHIFNO-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

5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188585
2-bromo-4-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117191965
5-bromo-1-ethyl-2-[(4-fluorophenoxy)methyl]imidazole
CID 117188694
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
2-[(4-methylphenoxy)methyl]-1-propan-2-ylindol-4-amine
CID 117173920
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
CID 84744964
6-bromo-3,5-dimethyl-2-[(4-methylphenoxy)methyl]imidazo[1,2-b][1,2,4]triazole
CID 84610300
4-[(4-bromophenoxy)methyl]-2-methyl-1-propan-2-ylimidazole
CID 117191982
5-chloro-2-[(4-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117177290
(2S)-3-methyl-1-(4-methylphenoxy)butan-2-amine
CID 39109844

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole (CID 117188687) is 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole is Cc1ccc(OCc2ncc(Br)n2C(C)C)cc1.
What is the InChIKey of 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The InChIKey is QGSGDFCIPHIFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10(2)17-13(15)8-16-14(17)9-18-12-6-4-11(3)5-7-12/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole?
5-bromo-2-[(4-methylphenoxy)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 5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 117188687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).