(2S)-2-imidazol-1-yl-3-methylbutan-1-ol

C8H14N2O — CID 11051879

IUPAC(2S)-2-imidazol-1-yl-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(2)8(5-11)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3/t8-/m1/s1
InChIKeyMIBHIRIHFZKRPH-MRVPVSSYSA-N
MW154.21 g/mol
LogP1.07
Rot. Bonds3

About (2S)-2-imidazol-1-yl-3-methylbutan-1-ol

(2S)-2-imidazol-1-yl-3-methylbutan-1-ol (PubChem CID 11051879) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-2-imidazol-1-yl-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-imidazol-1-yl-3-methylbutan-1-ol
PubChem CID11051879
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2S)-2-imidazol-1-yl-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)n1ccnc1
InChIInChI=1S/C8H14N2O/c1-7(2)8(5-11)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3/t8-/m1/s1
InChIKeyMIBHIRIHFZKRPH-MRVPVSSYSA-N
XLogP1.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-imidazol-1-yl-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-imidazol-1-yl-3-methylbutan-1-ol (CID 11051879) is (2S)-2-imidazol-1-yl-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-imidazol-1-yl-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-imidazol-1-yl-3-methylbutan-1-ol is CC(C)[C@@H](CO)n1ccnc1.
What is the InChIKey of (2S)-2-imidazol-1-yl-3-methylbutan-1-ol?
The InChIKey is MIBHIRIHFZKRPH-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(2)8(5-11)10-4-3-9-6-10/h3-4,6-8,11H,5H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-2-imidazol-1-yl-3-methylbutan-1-ol?
(2S)-2-imidazol-1-yl-3-methylbutan-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-imidazol-1-yl-3-methylbutan-1-ol is sourced from PubChem (CID 11051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).