(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol

C8H13BrN2O — CID 165491447

IUPAC(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol
SMILESCC(C)(C)c1nc(Br)c(CO)[nH]1
InChIInChI=1S/C8H13BrN2O/c1-8(2,3)7-10-5(4-12)6(9)11-7/h12H,4H2,1-3H3,(H,10,11)
InChIKeyYBTKOFMSKZWHCT-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.96
Rot. Bonds1

About (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol

(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol (PubChem CID 165491447) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol
PubChem CID165491447
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol
SMILESCC(C)(C)c1nc(Br)c(CO)[nH]1
InChIInChI=1S/C8H13BrN2O/c1-8(2,3)7-10-5(4-12)6(9)11-7/h12H,4H2,1-3H3,(H,10,11)
InChIKeyYBTKOFMSKZWHCT-UHFFFAOYSA-N
XLogP1.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol (CID 165491447) is (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol is CC(C)(C)c1nc(Br)c(CO)[nH]1.
What is the InChIKey of (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol?
The InChIKey is YBTKOFMSKZWHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-8(2,3)7-10-5(4-12)6(9)11-7/h12H,4H2,1-3H3,(H,10,11).
What are the key properties of (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol?
(4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol has a molecular weight of 233.11 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-tert-butyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 165491447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).