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

C14H17BrN2O — CID 107284312

IUPAC5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCc1ccc(Br)cc1OCc1cncn1C(C)C
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-9-16-7-13(17)8-18-14-6-12(15)5-4-11(14)3/h4-7,9-10H,8H2,1-3H3
InChIKeyPAEITLMVHQSAOV-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.11
Rot. Bonds4

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

5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole (PubChem CID 107284312) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
PubChem CID107284312
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole
SMILESCc1ccc(Br)cc1OCc1cncn1C(C)C
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-9-16-7-13(17)8-18-14-6-12(15)5-4-11(14)3/h4-7,9-10H,8H2,1-3H3
InChIKeyPAEITLMVHQSAOV-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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Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole (CID 107284312) is 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole is Cc1ccc(Br)cc1OCc1cncn1C(C)C.
What is the InChIKey of 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole?
The InChIKey is PAEITLMVHQSAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10(2)17-9-16-7-13(17)8-18-14-6-12(15)5-4-11(14)3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole?
5-[(5-bromo-2-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-[(5-bromo-2-methylphenoxy)methyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 107284312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).