2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol

C14H14BrN3O2 — CID 84610529

IUPAC2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol
SMILESCc1nc2ccc(-c3nc(CCO)n(C)c3Br)cc2o1
InChIInChI=1S/C14H14BrN3O2/c1-8-16-10-4-3-9(7-11(10)20-8)13-14(15)18(2)12(17-13)5-6-19/h3-4,7,19H,5-6H2,1-2H3
InChIKeyPFFDZADONYMEPT-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.83
Rot. Bonds3

About 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol

2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol (PubChem CID 84610529) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol
PubChem CID84610529
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol
SMILESCc1nc2ccc(-c3nc(CCO)n(C)c3Br)cc2o1
InChIInChI=1S/C14H14BrN3O2/c1-8-16-10-4-3-9(7-11(10)20-8)13-14(15)18(2)12(17-13)5-6-19/h3-4,7,19H,5-6H2,1-2H3
InChIKeyPFFDZADONYMEPT-UHFFFAOYSA-N
XLogP2.83
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,3-benzoxazol-6-yl)-5-bromo-1-methylimidazol-2-yl]-N-methylethanamine
CID 84610372
2-[5-bromo-4-(5-chlorothiophen-2-yl)-1-methylimidazol-2-yl]ethanol
CID 84604616
5-ethyl-4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-oxazol-2-amine
CID 116831941
[(2-methyl-1,3-benzoxazol-6-yl)amino]methanol
CID 115228727
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
4-(2-methyl-1,3-benzoxazol-6-yl)-5-propan-2-yl-1,3-oxazol-2-amine
CID 116832014
3,3-difluoro-3-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116841072
2-methyl-6-(4-methylphenyl)-1,3-benzoxazol-5-ol
CID 12886751
[5-bromo-1-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazol-2-yl]methanamine
CID 84604334
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
6-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methyl-1,3-benzoxazole
CID 116854709
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol?
The IUPAC name of 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol (CID 84610529) is 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol.
What is the SMILES notation for 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol?
The canonical SMILES for 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol is Cc1nc2ccc(-c3nc(CCO)n(C)c3Br)cc2o1.
What is the InChIKey of 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol?
The InChIKey is PFFDZADONYMEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-16-10-4-3-9(7-11(10)20-8)13-14(15)18(2)12(17-13)5-6-19/h3-4,7,19H,5-6H2,1-2H3.
What are the key properties of 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol?
2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol has a molecular weight of 336.19 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-methyl-4-(2-methyl-1,3-benzoxazol-6-yl)imidazol-2-yl]ethanol is sourced from PubChem (CID 84610529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).